COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK794755
Chemical Name: 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-nitrophenyl)ethanone
Smiles: O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 385.34
Empirical Formula: C17H18F3N3O4

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 2.554
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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