COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049842
Chemical Name: (8S,8aR,11aS)-8-[(4-nitrophenyl)carbonyl]-10-[3-(trifluoromethyl)phenyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 533.46
Empirical Formula: C28H18F3N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.218
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 6

     

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