General Information of the Compound
| Compound ID |
CP0888235
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| Compound Name |
(Z)-isopropyl 3-(3-(5-chloropyridin-3-yl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C13H13ClN4O2
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| Molecular Weight |
292.726
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| Canonical SMILES |
CC(C)OC(=O)/C=C\n1cnc(-c2cncc(Cl)c2)n1
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| InChI |
InChI=1S/C13H13ClN4O2/c1-9(2)20-12(19)3-4-18-8-16-13(17-18)10-5-11(14)7-15-6-10/h3-9H,1-2H3/b4-3-
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| InChIKey |
MWIXQFREPQOLQX-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