General Information of the Compound
| Compound ID |
CP0911477
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| Compound Name |
(Z)-isopropyl 3-(3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C15H16ClN3O3
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| Molecular Weight |
321.764
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| Canonical SMILES |
COc1ccc(-c2ncn(/C=C\C(=O)OC(C)C)n2)cc1Cl
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| InChI |
InChI=1S/C15H16ClN3O3/c1-10(2)22-14(20)6-7-19-9-17-15(18-19)11-4-5-13(21-3)12(16)8-11/h4-10H,1-3H3/b7-6-
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| InChIKey |
SBXLDCDWEJFRQO-SREVYHEPSA-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