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Compound Detail

CHEMBL1185077

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C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CC[C@H](F)C1

Basic Information

ChEMBL ID CHEMBL1185077
Phase Preclinical
Structure Type MOL
InChI Key MDVHQIPDBSXOAI-BHDSKKPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
1.76
ALogP
7
HBA
2
HBD
131.4
PSA (Ų)
0.69
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 C17H21ClFN5O4S
MW 445.90
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.77

Data from ChEMBL 36 via Core Engine