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Picrasidine L

PubChem CID: 5324104

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Compound Synonyms CHEMBL3400663, Picrasidine L, 96405-70-8, DTXSID401317660, BDBM50067491, InChI=1/C15H10N2O2/c1-16-7-6-10-9-4-2-3-5-11(9)17-14(10)12(16)8-13(18)15(17)19/h2-8H,1H
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 42.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC2CCCC3C4CCCCC4C(C1C)C23
Np Classifier Class Carboline alkaloids
Deep Smiles O=ccc-cnc6=O))cccccc6c9ccn%13C
Heavy Atom Count 19.0
Classyfire Class Indolonaphthyridine alkaloids
Scaffold Graph Node Level OC1CC2NCCC3C4CCCCC4N(C1O)C23
Isotope Atom Count 0.0
Molecular Complexity 522.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P18031, P17706, P51452, P29350, Q06124
Iupac Name 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Target Id NPT178
Xlogp 2.0
Gsk 4 400 Rule True
Molecular Formula C15H10N2O2
Scaffold Graph Node Bond Level O=c1cc2[nH]ccc3c-2n(c1=O)c1ccccc31
Prediction Swissadme 0.0
Inchi Key YIFMSNBQADOPBX-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0666666666666666
Logs -4.062
Rotatable Bond Count 0.0
Logd 2.154
Synonyms picrasidine l
Esol Class Soluble
Functional Groups c=O, cn(c)C, cn(c)c
Compound Name Picrasidine L
Prediction Hob Swissadme 0.0
Exact Mass 250.074
Formal Charge 0.0
Monoisotopic Mass 250.074
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 250.25
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -5.126951294736842
Inchi InChI=1S/C15H10N2O2/c1-16-7-6-10-9-4-2-3-5-11(9)17-14(10)12(16)8-13(18)15(17)19/h2-8H,1H3
Smiles CN1C=CC2=C3C1=CC(=O)C(=O)N3C4=CC=CC=C24
Nring 4.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tryptophan alkaloids