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Compound Detail

CHEMBL4802292

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COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802292
Phase Preclinical
Structure Type MOL
InChI Key CVCLJVVBHYOXDC-IAZSKANUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.02
ALogP
2
HBA
2
HBD
53.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O
MW 317.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine