COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525946
Chemical Name: (5alpha,8xi,9xi,14xi,16xi,17xi)-12-oxospirostan-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC(=O)[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C

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Molecular Weight: 500.72
Empirical Formula: C31H48O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.178
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 61
Number of rings: 6

     

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