COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555014
Chemical Name: 4-{[(4aS,4bR,7aS,8R)-6-(2-methoxy-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: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)[N+](=O)[O-]

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Molecular Weight: 504.46
Empirical Formula: C25H20N4O8

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 0.936
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 151
Number of rings: 5

     

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