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Sorafenib

PubChem CID: 216239

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Compound Synonyms Sorafenib, 284461-73-0, Nexavar, BAY 43-9006, sorafenibum, 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide, 4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE, Sorafenib free base, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide, 100012-18-8, UNII-9ZOQ3TZI87, 9ZOQ3TZI87, MFCD06411450, BAY-43-9006, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea, 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide, DTXSID7041128, CHEBI:50924, HSDB 8173, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide, 284461-73-0 (free base), 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide, BAY43-9006, CHEMBL1336, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, EC 608-209-4, BAY-439006, Sorafenib [INN], 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, Sorafenib (Nexavar), SORAFENIB (MART.), SORAFENIB [MART.], 4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide, NSC-724772, NCGC00167488-01, Sorafenib [USAN:INN:BAN], SR-00000000529, 1uwh, 3gcs, 3heg, 4asd, Hit compound, 8, Sorafenib, 4, 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)phenoxy)-N-methylpyridine-2-carboxamide, 4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N(SUP 2)-METHYLPYRIDINE-2-CARBOXAMIDE, 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide, BAY 43-9006, N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea, Nevaxar, Sorafenib, Manganese(4+), chloro[[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-kappaN21,kappaN22,kappaN23,kappaN24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:4), (SP-5-12)-, Sorafenib (Standard), BAY 439006, Kinome_766, SORAFENIB BASE, SORAFENIB [MI], Sorafenib (USAN/INN), SORAFENIB [USAN], Nexavar (TN) (Bayer), sorafenib tosilate hydrate, SORAFENIB [VANDF], SCHEMBL8218, SORAFENIB [WHO-DD], SORAFENIB [EMA EPAR], Sorafenib - Bio-X trade mark, BAY 43-9006, Sorafenib, cid_216239, GTPL5711, DTXCID5021128, BDBM16673, L01XE05, BCPP000064, HMS2043A18, HMS3244A15, HMS3244A16, HMS3244B15, HMS3656N20, K00597a, BCP01767, BCP34023, EX-A2894, BAY439006, HY-10201R, NSC747971, NSC800934, s7397, STK627350, AKOS005560229, AC-1674, CCG-269400, CS-1590, DB00398, FS10807, NSC-747971, NSC-800934, PB14443, SB19942, SDCCGSBI-0634413.P005, SF-0529, BAY-43-0006, NCGC00167488-02, NCGC00167488-03, NCGC00167488-04, NCGC00167488-05, NCGC00167488-07, NCGC00167488-11, NCGC00167488-14, 4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide, BS164413, DA-52659, HY-10201, N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea, Sorafenib free base (BAY-43-9006)?, SY009239, PA-216239, NS00005946, SW202562-4, BA4 43 9006, D08524, EN300-120647, AB00933189-05, AB00933189-06, AB00933189_08, Q421136, SR-00000000529-1, BRD-K23984367-001-01-8, BRD-K23984367-001-07-5, BRD-K23984367-075-15-2, Z89277543, BAY 439006, BAY439006, BAY-439006, Sorafenib (D3), CM-4307, CM 4307, CM4307, Bay 43-9006 (D3), 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido) phenoxy)-N-methylpicolinamide, 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido)phenoxy)-N-methylpicolinamide, N-(3-trifluoromethyl-4-chlorophenyl)-N'-(4-(2-methylcarbamoyl pyridin-4-yl)oxyphenyl)urea, 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N(sup 2)- methylpyridine-2-carboxamide, 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2- carboxyllic acid methyamide-4-methylbenzenesulfonate, 4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)- N-methylpyridine-2-carboxamide, 4-(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N2-methylpyridine-2-carboxamide, 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide, tosylic acid, 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-amino]phenoxy}-N-methylpyridine-2-carboxamide, 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methyl-pyridine-2-carboxamide, Manganese(4+), chloro[[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-N21,N22,N23,N24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:4), (SP-5-12)-, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4- pyridyloxy)phenyl)urea, N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea
Topological Polar Surface Area 92.4
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 646.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Prediction Hob 1.0
Target Id NPT1424, NPT1434, NPT1478, NPT3267, NPT1479, NPT2575, NPT2729, NPT13, NPT283, NPT1447, NPT2573, NPT1650, NPT3205, NPT36, NPT2572, NPT3168, NPT3370, NPT2574, NPT1480, NPT1432, NPT301, NPT1785, NPT294, NPT1784, NPT292, NPT291, NPT92, NPT290, NPT862, NPT3303, NPT281, NPT282, NPT3960, NPT285, NPT2576, NPT713, NPT3324, NPT3323, NPT3213, NPT955, NPT3371, NPT1337, NPT3320, NPT1571, NPT3020, NPT591, NPT3444, NPT3432, NPT3409, NPT3439
Xlogp 4.1
Molecular Formula C21H16ClF3N4O3
Prediction Swissadme 0.0
Inchi Key MLDQJTXFUGDVEO-UHFFFAOYSA-N
Fcsp3 0.0952380952380952
Logs -6.543
Rotatable Bond Count 5.0
Logd 3.564
Compound Name Sorafenib
Prediction Hob Swissadme 0.0
Exact Mass 464.086
Formal Charge 0.0
Monoisotopic Mass 464.086
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 464.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.5082021999999995
Inchi InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
Smiles CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Artemisia Myriantha (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Asimina Triloba (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients
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