COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541473
Chemical Name: (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-10-(1H-benzotriazol-1-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

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Molecular Weight: 505.49
Empirical Formula: C28H19N5O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.784
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 8

     

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