General Information of the Compound
| Compound ID |
CP0948694
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| Compound Name |
(Z)-methyl 3-(3-(3-chloro-5-methoxyphenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C13H12ClN3O3
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| Molecular Weight |
293.71
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| Canonical SMILES |
COC(=O)/C=C\n1cnc(-c2cc(Cl)cc(OC)c2)n1
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| InChI |
InChI=1S/C13H12ClN3O3/c1-19-11-6-9(5-10(14)7-11)13-15-8-17(16-13)4-3-12(18)20-2/h3-8H,1-2H3/b4-3-
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| InChIKey |
CVEBPYHHYUVREW-ARJAWSKDSA-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