COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525788
Chemical Name: (8xi,9xi,14xi,16alpha,17alpha)-17-cyano-16,17-dihydroxyandrost-5-en-3-ylacetate
Smiles: N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

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Molecular Weight: 373.49
Empirical Formula: C22H31NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.057
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 90
Number of rings: 4

     

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