COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528133
Chemical Name: (8xi,9xi,14xi,17xi)-16-isothiocyanato-20-oxopregn-5-en-3-ylacetate
Smiles: S=C=NC1CC2[C@](C1C(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

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Molecular Weight: 415.6
Empirical Formula: C24H33NO3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.464
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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