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Compound Detail

CHEMBL1206505

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CCNC(=O)c1ccccc1CCC(SCC(CC)C(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206505
Phase Preclinical
Structure Type MOL
InChI Key XTIBDWYDLHORPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

591.2
MW (Da)
7.73
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H35ClN2O4S
MW 591.17
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine