COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670844
Chemical Name: (8xi,9xi,14xi,16alpha,17xi,8'xi,9'xi,10'alpha,13'alpha,14'xi,16'beta,17'xi)-16,16'-disulfanediylbis(3-hydroxypregn-5-en-20-one)
Smiles: 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)O)C)C1)C

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Molecular Weight: 695.08
Empirical Formula: C42H62O4S2

Available Amount: 0 mg

Lipinsky:
logP: 9.113
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 8

     

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