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Compound Detail

CHEMBL51402

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CCN(CC)CCCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51402
Phase Preclinical
Structure Type MOL
InChI Key HFKZEEQZEFYPJG-DTQAZKPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.6
MW (Da)
5.97
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2OS
MW 380.56
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine