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Compound Detail

CHEMBL1185556

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COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1

Basic Information

ChEMBL ID CHEMBL1185556
Phase Preclinical
Structure Type MOL
InChI Key IEARDXOAQBZYGW-PKNBQFBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
4.73
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29Cl2N3O2
MW 462.42
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine