COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556264
Chemical Name: methyl(8S,8aR,11aS,11bS)-10-(3-chloro-4-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)F

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Molecular Weight: 426.83
Empirical Formula: C22H16ClFN2O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.583
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 66
Number of rings: 5

     

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