COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086957
Chemical Name: (4-tert-butylphenyl)[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Smiles: O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 382.43
Empirical Formula: C20H25F3N2O2

Physical State: Dry powder
Available Amount: 263 mg

Lipinsky:
logP: 4.434
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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