Idelalisib
PubChem CID: 11625818
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Idelalisib, 870281-82-6, CAL-101, Zydelig, GS-1101, CAL101, CAL 101, (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, Idelalisib (CAL-101), UNII-YG57I8T5M0, CAL-101 (Idelalisib, GS-1101), GS 1101, YG57I8T5M0, CHEBI:82701, 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one, (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, CHEMBL2216870, HSDB 8408, CAL-101/CAL101, 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one, Idelalisib, CAL-101, 4(3H)-Quinazolinone,5-fluoro-3-phenyl-2-[(1S)-1-(1H-purin-6-ylamino)propyl]-, GS-1101, Idelalisib, CAL-101, 4(3H)-QUINAZOLINONE, 5-FLUORO-3-PHENYL-2-((1S)-1-(1H-PURIN-6-YLAMINO)PROPYL)-, 4(3H)-QUINAZOLINONE, 5-FLUORO-3-PHENYL-2-((1S)-1-(9H-PURIN-6-YLAMINO)PROPYL)-, 5-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, 5-Fluoro-3-Phenyl-2-[(1s)-1-(7h-Purin-6-Ylamino)propyl]quinazolin-4(3h)-One, 1453810-72-4, Idelalisib [INN], Idelalisib [USAN:INN], idelalisibum, Idealisib, C22H18FN7O, 5-fluoro-3-phenyl-2-((1S)-1-(3H-purin-6-ylamino)propyl)quinazolin-4(3H)-one, Zydelig (TN), MFCD19443647, IDELALISIB [MI], IDELALISIB [JAN], IDELALISIB [USAN], IDELALISIB [VANDF], IDELALISIB [WHO-DD], MLS006010985, Idelalisib (JAN/USAN/INN), SCHEMBL356400, GTPL6741, IDELALISIB [ORANGE BOOK], SCHEMBL16782604, EX-A330, L01XX47, GS-11CAL-101, BCPP000307, DTXSID701007266, BCP02532, EX-A1242, BDBM50403068, NSC759224, NSC762828, NSC800771, s2226, AKOS022186334, AKOS040744041, Idelalisib (CAL-101,GS-1101), BCP9000471, CCG-264949, CS-0256, DB09054, FI29231, NSC-759224, NSC-762828, NSC-800771, SDCCGSBI-0654408.P001, 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE, CAL-101 (GS-1101), NCGC00262603-01, NCGC00262603-02, NCGC00262603-04, AC-28394, AC-36641, HY-13026, IC489666, SMR004702787, DB-333007, NS00071041, SW219823-1, A-1138, D10560, EN300-7412931, Phosphoinositide-3 Kinase Delta Inhibitor CAL-101, Q5908266, BRD-K60866521-001-01-4, BRD-K60866521-001-07-1, (S)-5-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)-propyl]-3H-quinazolin-4-one, 5-Fluoro-3-phenyl-2-((1S)-1-((7H-purin-6-yl)amino)propyl)quinazolin-4(3H)-one, 5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-one, (S)-2-(1-(1-(9H-Purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, CAL-101, GS-1101, 40L |
|---|---|
| Topological Polar Surface Area | 99.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 685.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1446, NPT1445, NPT3376, NPT1444, NPT2556 |
| Xlogp | 3.7 |
| Molecular Formula | C22H18FN7O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
| Fcsp3 | 0.1363636363636363 |
| Logs | -3.618 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.157 |
| Compound Name | Idelalisib |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 415.156 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 415.156 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 415.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.775752593548387 |
| Inchi | InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 |
| Smiles | CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients