COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542541
Chemical Name: (6aR,6bS,9aR,10S)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)c1ccc2c(c1)OCCO2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 523.5
Empirical Formula: C29H21N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.082
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 121
Number of rings: 7

     

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