COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552826
Chemical Name: (4aR,4bS,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylicacid
Smiles: O=C1CCC(=O)[C@H]2[C@@H]1[C@@]13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

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Molecular Weight: 412.57
Empirical Formula: C26H36O4

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 4.849
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 6

     

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