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Compound Detail

CHEMBL1187220

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COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(C)C)C2

Basic Information

ChEMBL ID CHEMBL1187220
Phase Preclinical
Structure Type MOL
InChI Key KSMJVHHISZPZFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.56
ALogP
6
HBA
1
HBD
67.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O4S
MW 388.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.63

Data from ChEMBL 36 via Core Engine