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Compound Detail

CHEMBL4451789

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C[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)NC1CCS(=O)(=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451789
Phase Preclinical
Structure Type MOL
InChI Key ZKMUUHMVAWYIJL-BTDICHCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
1.55
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN2O4S
MW 384.89
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine