COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525000
Chemical Name: (2R,4aR,6aS)-6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12-octadecahydro-1H-indeno[2,1-a]phenanthren-2-ylacetate
Smiles: CC(=O)O[C@@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2(CCCC3)C(=O)C)C)C1)C

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Molecular Weight: 412.61
Empirical Formula: C27H40O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.911
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 5

     

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