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Compound Detail

CHEMBL1189084

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CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OC)cc(C)nc34)c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189084
Phase Preclinical
Structure Type MOL
InChI Key VOOAWTUCIAYTJR-XNTDXEJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

621.5
MW (Da)
5.59
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30Cl2N4O5
MW 621.52
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine