COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556732
Chemical Name: 4-{[(4aS,4bR,7aS,8R)-6-(2,5-dimethoxyphenyl)-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)OC

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Molecular Weight: 489.48
Empirical Formula: C26H23N3O7

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 1.005
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 114
Number of rings: 5

     

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