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Compound Detail

CHEMBL5498798

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CC[C@@H]1NC(=O)[C@@H](N2C(=O)N[C@@H](C)C2=O)CNC(=O)[C@H](CS(=O)(=O)O)NC(=O)/C=C/c2csc(n2)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)[C@H]([C@@H](C)CC)NC1=O

Basic Information

ChEMBL ID CHEMBL5498798
Phase Preclinical
Structure Type MOL
InChI Key BSYPEKPLGQLHRN-JLZFPITBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

832.9
MW (Da)
-0.93
ALogP
13
HBA
8
HBD
299.5
PSA (Ų)
0.09
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H44N8O12S2
MW 832.92
Aromatic Rings 2
Heavy Atoms 57
NP-Likeness 0.87

Data from ChEMBL 36 via Core Engine