General Information of the Compound
| Compound ID |
CP0906037
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| Compound Name |
(Z)-isopropyl 3-(3-(2-chloro-6-(isopropylamino)pyridin-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C16H20ClN5O2
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| Molecular Weight |
349.822
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| Canonical SMILES |
CC(C)Nc1cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)cc(Cl)n1
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| InChI |
InChI=1S/C16H20ClN5O2/c1-10(2)19-14-8-12(7-13(17)20-14)16-18-9-22(21-16)6-5-15(23)24-11(3)4/h5-11H,1-4H3,(H,19,20)/b6-5-
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| InChIKey |
HCCYKWOUYMBJMP-WAYWQWQTSA-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