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Compound Detail

CHEMBL1196546

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CN(C)Cc1cc(C(=O)/C=C/c2cccc(Cl)c2)cc(CN(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196546
Phase Preclinical
Structure Type MOL
InChI Key UJJOHVTVDSYXAP-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.9
MW (Da)
4.06
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.59
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 C21H25ClN2O2
MW 372.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine