COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556366
Chemical Name: (6aR,6bS,9aR,10S)-8-[4-chloro-3-(trifluoromethyl)phenyl]-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)C(F)(F)F)Cl)C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 567.91
Empirical Formula: C28H17ClF3N3O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.209
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 6

     

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