General Information of the Compound
| Compound ID |
CP0448963
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| Compound Name |
1-[(Z)-2-Benzyloxy-2-(2,6-dichloro-phenyl)-vinyl]-1H-[1,2,4]triazole
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| Structure |
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| Formula |
C17H13Cl2N3O
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| Molecular Weight |
346.217
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| Canonical SMILES |
Clc1cccc(Cl)c1\C(OCc1ccccc1)=C\n1cncn1
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| InChI |
InChI=1S/C17H13Cl2N3O/c18-14-7-4-8-15(19)17(14)16(9-22-12-20-11-21-22)23-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2/b16-9-
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| InChIKey |
RUPAZAIKPULYKU-SXGWCWSVSA-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