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Compound Detail

CHEMBL1229192

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CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229192
Phase Preclinical
Structure Type MOL
InChI Key QYIIVMFJYKZTIQ-CEQIKUNHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.28
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O3S
MW 401.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine