General Information of the Compound
| Compound ID |
CP0864419
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| Compound Name |
(Z)-isopropyl 3-(5-(3,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl)acrylate
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| Structure |
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| Formula |
C14H13Cl2N3O2
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| Molecular Weight |
326.183
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| Canonical SMILES |
CC(C)OC(=O)/C=C\c1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1
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| InChI |
InChI=1S/C14H13Cl2N3O2/c1-8(2)21-13(20)4-3-12-17-14(19-18-12)9-5-10(15)7-11(16)6-9/h3-8H,1-2H3,(H,17,18,19)/b4-3-
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| InChIKey |
FAZSUPIIPMUNBZ-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