COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537560
Chemical Name: ethyl(8S,8aR,11aS,11bS)-9,11-dioxo-10-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 457.41
Empirical Formula: C23H18F3N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.599
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 5

     

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