COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049273
Chemical Name: [5-ethyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone
Smiles: CCC1CCC2=NN(C(C2C1)(O)C(F)(F)F)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 385.34
Empirical Formula: C17H18F3N3O4

Available Amount: 0 mg

Lipinsky:
logP: 3.116
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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