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Compound Detail

CHEMBL1206475

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CCC(CSC(CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL1206475
Phase Preclinical
Structure Type MOL
InChI Key QVCMBMYBGUPCRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

588.1
MW (Da)
7.17
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30ClN5O3S
MW 588.13
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine