COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550341
Chemical Name: 4-[(4aS,4bR,7aS,8R)-8-[(3-nitrophenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1

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Molecular Weight: 474.43
Empirical Formula: C24H18N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.661
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 142
Number of rings: 5

     

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