COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555353
Chemical Name: methyl2-[(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)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](N1[C@@H]2C=CC=N1)C(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 489.48
Empirical Formula: C26H23N3O7

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.633
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 114
Number of rings: 5

     

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