COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054921
Chemical Name: 10-(2,3-dihydro-1,4-benzodioxin-6-yl)-9,11-dioxo-N-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C(C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3)Nc1cccc(c1)C(F)(F)F

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Molecular Weight: 561.52
Empirical Formula: C30H22F3N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.237
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 7

     

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