General Information of the Compound
| Compound ID |
CP0867127
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| Compound Name |
(Z)-isopropyl 3-(3-(3-chloro-5-(2-methoxyethoxy)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C17H20ClN3O4
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| Molecular Weight |
365.817
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| Canonical SMILES |
COCCOc1cc(Cl)cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1
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| InChI |
InChI=1S/C17H20ClN3O4/c1-12(2)25-16(22)4-5-21-11-19-17(20-21)13-8-14(18)10-15(9-13)24-7-6-23-3/h4-5,8-12H,6-7H2,1-3H3/b5-4-
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| InChIKey |
LWSIWBKRYSUFNC-PLNGDYQASA-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