COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549595
Chemical Name: (4aS,4bR,7aS,8R)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 474.43
Empirical Formula: C24H18N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.989
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 134
Number of rings: 6

     

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