General Information of the Compound
| Compound ID |
CP0867128
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| Compound Name |
(Z)-3-[3-(3-Chloro-phenyl)-[1,2,4]triazol-1-yl]-acrylic acid phenyl ester
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| Structure |
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| Formula |
C17H12ClN3O2
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| Molecular Weight |
325.755
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| Canonical SMILES |
O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)Oc1ccccc1
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| InChI |
InChI=1S/C17H12ClN3O2/c18-14-6-4-5-13(11-14)17-19-12-21(20-17)10-9-16(22)23-15-7-2-1-3-8-15/h1-12H/b10-9-
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| InChIKey |
QLEURDSHNTVRTP-KTKRTIGZSA-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