COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544849
Chemical Name: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2-methyl-4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccc(cc1C)[N+](=O)[O-])[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

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Molecular Weight: 520.5
Empirical Formula: C28H20N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.112
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 134
Number of rings: 7

     

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