COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071054
Chemical Name: [4-(dimethylamino)phenyl][3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]methanone
Smiles: CN(c1ccc(cc1)C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2)C

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Molecular Weight: 369.39
Empirical Formula: C18H22F3N3O2

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 3.162
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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