COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK756647
Chemical Name: (3beta,8xi,9xi,14xi,16alpha,20Z)-20-[(acetyloxy)imino]-16-(nitromethyl)pregn-5-en-3-ylacetate
Smiles: CC(=O)O/N=C(\[C@H]1[C@H](C[N+](=O)[O-])CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C)/C

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Molecular Weight: 474.6
Empirical Formula: C26H38N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.058
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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