General Information of the Compound
| Compound ID |
CP0505436
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| Compound Name |
5-{[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamino]-methyl}-2,4-dihydro-[1,2,4]triazol-3-one
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| Structure |
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| Formula |
C20H18F6N4O2
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| Molecular Weight |
460.378
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| Canonical SMILES |
FC(F)(F)c1cc(COC[C@@H](NCc2n[nH]c(=O)[nH]2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F6N4O2/c21-19(22,23)14-6-12(7-15(8-14)20(24,25)26)10-32-11-16(13-4-2-1-3-5-13)27-9-17-28-18(31)30-29-17/h1-8,16,27H,9-11H2,(H2,28,29,30,31)/t16-/m1/s1
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| InChIKey |
STQPZMKBIAWKGK-MRXNPFEDSA-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