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Compound Detail

CHEMBL1204528

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CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)O

Basic Information

ChEMBL ID CHEMBL1204528
Phase Preclinical
Structure Type MOL
InChI Key VRNRWEFFIHKNHV-YTTGMZPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

586.8
MW (Da)
7.21
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H42N2O4S
MW 586.80
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine