COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546481
Chemical Name: ethyl(3alpha,8xi,9xi,14xi,20R)-3-(acetyloxy)-20-cyano-17,20-epoxypregn-5-en-21-oate
Smiles: CCOC(=O)[C@]1(C#N)O[C@]21CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CC[C@H](C1)OC(=O)C

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Molecular Weight: 441.57
Empirical Formula: C26H35NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.39
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 88
Number of rings: 5

     

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