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Compound Detail

CHEMBL4115992

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CCCCc1cc(OC2CCN(CCCCNS(C)(=O)=O)CC2)c2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4115992
Phase Preclinical
Structure Type MOL
InChI Key WCNMMPUKVKKLKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
3.75
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N3O3S
MW 433.62
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine