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Compound Detail

CHEMBL1195378

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ClCCN(CCCl)c1ccc(SCCNc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195378
Phase Preclinical
Structure Type MOL
InChI Key XWMICDVYAQYSFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
6.88
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.12
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 C25H25Cl2N3S
MW 470.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.99

Data from ChEMBL 36 via Core Engine