COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050581
Chemical Name: (8S,8aR,11aS)-10-(3-nitrophenyl)-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([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3)Nc1cccc(c1)C(F)(F)F

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Molecular Weight: 548.48
Empirical Formula: C28H19F3N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.301
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 6

     

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