COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528007
Chemical Name: (3aR,6R,9aR,11aR)-6,9a-dimethyl-2-(3-nitrophenyl)-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

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Molecular Weight: 520.63
Empirical Formula: C30H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.481
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 120
Number of rings: 7

     

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