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Compound Detail

CHEMBL1194068

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C=CCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194068
Phase Preclinical
Structure Type MOL
InChI Key LXTYJNXZQFZIOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
6.28
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25Cl2NO
MW 402.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine