COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557965
Chemical Name: methyl2-[(4aS,4bR,7aS,8R)-8-{[4-(acetyloxy)phenyl]carbonyl}-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

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Molecular Weight: 487.47
Empirical Formula: C26H21N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.101
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 122
Number of rings: 5

     

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