COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537501
Chemical Name: ethyl(8S,8aR,11aS,11bS)-10-[2-(methoxycarbonyl)phenyl]-9,11-dioxo-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)c1ccccc1C(=O)OC

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Molecular Weight: 447.45
Empirical Formula: C24H21N3O6

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.005
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 105
Number of rings: 5

     

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