COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557007
Chemical Name: 4-{[(4aS,4bR,7aS,8R)-6-(2-methyl-5-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 488.46
Empirical Formula: C25H20N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.314
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 142
Number of rings: 5

     

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