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Compound Detail

CHEMBL1204526

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CSCC[C@H](NC(=O)c1ccc(CNCCC2CCCCC2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204526
Phase Preclinical
Structure Type MOL
InChI Key AITRSUMFMXLCFQ-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.7
MW (Da)
5.66
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N2O3S
MW 482.69
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine