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Compound Detail

CHEMBL335928

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COC(=O)CC1C(Cc2ccccc2)CC2C(Cc3ccccc3)CC1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335928
Phase Preclinical
Structure Type MOL
InChI Key XXQUTIIQIQULCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.36
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO2
MW 377.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.59

Data from ChEMBL 36 via Core Engine