General Information of the Compound
| Compound ID |
CP0303745
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| Compound Name |
5-({[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethyl]-methyl-amino}-methyl)-2,4-dihydro-[1,2,4]triazol-3-one
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| Structure |
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| Formula |
C21H20F6N4O2
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| Molecular Weight |
474.405
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| Canonical SMILES |
CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C21H20F6N4O2/c1-31(10-18-28-19(32)30-29-18)17(14-5-3-2-4-6-14)12-33-11-13-7-15(20(22,23)24)9-16(8-13)21(25,26)27/h2-9,17H,10-12H2,1H3,(H2,28,29,30,32)/t17-/m1/s1
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| InChIKey |
IEMQDTNVDLFVMI-QGZVFWFLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound