COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552826
Chemical Name: (6aR,6bS,9aR,10S)-8-(naphthalen-2-yl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 530.54
Empirical Formula: C31H22N4O5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 4.933
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 7

     

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