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Chemical structure of CGP-53153

GC32422

CGP-53153

Also known as (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

CGP-53153 is a steroidal inhibitor of 5 alpha reductase with IC50s of 36 and 262 nM in rat and human prostatic tissue, respectively

ChemicalCAS149281-19-6MW383.53FormulaC23H33N3O2
CAS number
149281-19-6
Molecular weight
383.53
Formula
C23H33N3O2
Solubility
Soluble in DMSO
InChIKey
OESNKOKTKJVMIR-WSBQPABSSA-N
Catalogue number
GC32422
Brand
GLPBIO
Computed properties PubChem CID 9821402 · XLogP 2.4 · TPSA 82 Ų · H-bond donors 2
XLogP
2.4
TPSA
82 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C#N)CC[C@@H]4[C@@]3(C=CC(=O)N4)C

Computed descriptors from PubChem (CID 9821402), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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