COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670845
Chemical Name: (8xi,9xi,10alpha,13alpha,14xi,16beta,17xi)-16-{[(8xi,9xi,14xi,16alpha,17xi)-3-(acetyloxy)-20-oxopregn-5-en-16-yl]disulfanyl}-20-oxopregn-5-en-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)SS[C@H]2CC3[C@@](C2C(=O)C)(C)CCC2C3CC=C3[C@@]2(C)CCC(C3)OC(=O)C)C)C1)C

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Molecular Weight: 779.16
Empirical Formula: C46H66O6S2

Available Amount: 0 mg

Lipinsky:
logP: 10.822
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 137
Number of rings: 8

     

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