COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064016
Chemical Name: (3aS,4R,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Smiles: COc1c(Br)cc(cc1OC)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)cccc2C(F)(F)F

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Molecular Weight: 454.29
Empirical Formula: C21H19BrF3NO2

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 5.344
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 30
Number of rings: 4

     

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