COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549352
Chemical Name: (4aS,4bR,7aS,8R)-6-(1,3-benzodioxol-5-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=C([C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 460.4
Empirical Formula: C23H16N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.186
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 134
Number of rings: 6

     

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