General Information of the Compound
| Compound ID |
CP0503233
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| Compound Name |
butyl 2-[4,5-bis(2,4-dichlorophenyl)triazol-2-yl]acetate
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| Synonyms |
1,2,3-triazole derivative 1
PMID26161824-Compound-90
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| Structure |
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| Formula |
C20H17Cl4N3O2
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| Molecular Weight |
473.187
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| Canonical SMILES |
CCCCOC(=O)Cn1nc(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C20H17Cl4N3O2/c1-2-3-8-29-18(28)11-27-25-19(14-6-4-12(21)9-16(14)23)20(26-27)15-7-5-13(22)10-17(15)24/h4-7,9-10H,2-3,8,11H2,1H3
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| InChIKey |
JHYLDWFPNBXQGK-UHFFFAOYSA-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
Clinical Information about the Compound