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Compound Detail

CHEMBL1185071

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C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1

Basic Information

ChEMBL ID CHEMBL1185071
Phase Preclinical
Structure Type MOL
InChI Key BNMQXARXSAHNCZ-HZMBPMFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
1.81
ALogP
7
HBA
2
HBD
131.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22ClN5O4S
MW 427.91
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.78

Data from ChEMBL 36 via Core Engine