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Compound Detail

CHEMBL50339

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CCCN(CCC)CCCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50339
Phase Preclinical
Structure Type MOL
InChI Key YVDVRBKOJZYTRR-DTQAZKPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
6.75
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.31
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 C25H32N2OS
MW 408.61
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine