COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524795
Chemical Name: (8xi,9xi,14xi,17xi,20xi)-26-(acetylamino)-16,22-dioxocholest-5-en-3-ylacetate
Smiles: CC(CCC(=O)C(C1C(=O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)C)CNC(=O)C

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Molecular Weight: 513.72
Empirical Formula: C31H47NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.053
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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