COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525663
Chemical Name: 2-[(4aR,5aS,9R,9aS,11bR)-9-hydroxy-9a,11b-dimethyltetradecahydrospiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,2'-[1,3]dioxolan]-9-yl]-2-oxoethylacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2C[C@H]2[C@@]3([C@]1(C)CCC1(C3)OCCO1)O2

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Molecular Weight: 448.56
Empirical Formula: C25H36O7

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.786
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 94
Number of rings: 6

     

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