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Compound Detail

CHEMBL1193599

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ClCCN(CCCl)c1ccc(SCCCCNc2c3ccccc3nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193599
Phase Preclinical
Structure Type MOL
InChI Key RIZRAWBQTFMLAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.5
MW (Da)
7.66
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.09
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 C27H29Cl2N3S
MW 498.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine