General Information of the Compound
| Compound ID |
CP0913914
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| Compound Name |
(E)-3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acrylamide
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| Structure |
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| Formula |
C18H15ClN4O2
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| Molecular Weight |
354.797
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| Canonical SMILES |
COc1ccc(NC(=O)/C=C/n2cnc(-c3cccc(Cl)c3)n2)cc1
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| InChI |
InChI=1S/C18H15ClN4O2/c1-25-16-7-5-15(6-8-16)21-17(24)9-10-23-12-20-18(22-23)13-3-2-4-14(19)11-13/h2-12H,1H3,(H,21,24)/b10-9+
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| InChIKey |
LBNWRDCVNGUTBP-MDZDMXLPSA-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