General Information of the Compound
| Compound ID |
CP0495847
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| Compound Name |
5-({[(S)-2-(3-Chloro-5-methyl-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 |
C20H23ClN4O2
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| Molecular Weight |
386.883
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| Canonical SMILES |
CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(C)cc(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C20H23ClN4O2/c1-14-8-15(10-17(21)9-14)12-27-13-18(16-6-4-3-5-7-16)25(2)11-19-22-20(26)24-23-19/h3-10,18H,11-13H2,1-2H3,(H2,22,23,24,26)/t18-/m1/s1
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| InChIKey |
MENACXWZSRFIHK-GOSISDBHSA-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