General Information of the Compound
| Compound ID |
CP0930880
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| Compound Name |
(E)-3-[3-(3-Chloro-phenyl)-[1,2,4]-triazol-1-yl]-acrylic acid isopropyl ester
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| Structure |
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| Formula |
C14H14ClN3O2
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| Molecular Weight |
291.738
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| Canonical SMILES |
CC(C)OC(=O)/C=C/n1cnc(-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C14H14ClN3O2/c1-10(2)20-13(19)6-7-18-9-16-14(17-18)11-4-3-5-12(15)8-11/h3-10H,1-2H3/b7-6+
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| InChIKey |
KLXKTTGROYBSDM-VOTSOKGWSA-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