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Compound Detail

CHEMBL1195936

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COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C

Basic Information

ChEMBL ID CHEMBL1195936
Phase Preclinical
Structure Type BOTH
InChI Key QCBFVBGVOQHFKX-GWUOUMRYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

687.9
MW (Da)
1.82
ALogP
10
HBA
6
HBD
188.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H45N5O7S2
MW 687.89
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness 1.02

Data from ChEMBL 36 via Core Engine