COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536858
Chemical Name: 4-acetylphenyl(6aS,6bR,9aS,10R)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1)Oc1ccc(cc1)C(=O)C

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Molecular Weight: 536.54
Empirical Formula: C31H24N2O7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.998
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 102
Number of rings: 7

     

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