General Information of the Compound
| Compound ID |
CP0532439
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| Compound Name |
(+/-)-trans-5-(((2-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)ethyl)(methyl)amino)methyl)-2H-1,2,4-triazol-3(4H)-one
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| Structure |
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| Formula |
C26H28F6N4O2
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| Molecular Weight |
542.524
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| Canonical SMILES |
CN(CC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C26H28F6N4O2/c1-36(14-22-33-24(37)35-34-22)10-9-18-7-8-21(23(18)17-5-3-2-4-6-17)38-15-16-11-19(25(27,28)29)13-20(12-16)26(30,31)32/h2-6,11-13,18,21,23H,7-10,14-15H2,1H3,(H2,33,34,35,37)/t18-,21-,23-/m0/s1
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| InChIKey |
WKVJTXKYRCNGPX-HARLFGEKSA-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