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Compound Detail

CHEMBL4117866

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COc1cc(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1OCCCSSCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117866
Phase Preclinical
Structure Type MOL
InChI Key DSUVZVBZNSPSQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.1
MW (Da)
4.98
ALogP
7
HBA
2
HBD
68.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35ClN2O3S2
MW 511.15
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine