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Compound Detail

CHEMBL51186

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CCCCN(CCCC)CCCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51186
Phase Preclinical
Structure Type MOL
InChI Key JYOYCUQHJILEQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.7
MW (Da)
7.93
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N2OS
MW 450.69
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine