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Compound Detail

CHEMBL1198557

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C=CCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198557
Phase Preclinical
Structure Type MOL
InChI Key NXHNQCROTJEBAK-WAYWQWQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
4.02
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO3
MW 311.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine