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Compound Detail

CHEMBL1192192

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ClCCN(CCCl)c1ccc(SCCCNc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192192
Phase Preclinical
Structure Type MOL
InChI Key FSJFMSCJJZGVHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
7.27
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.10
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27Cl2N3S
MW 484.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine