General Information of the Compound
| Compound ID |
CP0914431
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| Compound Name |
(Z)-isopropyl 3-(3-(3-cyano-5-isopropoxyphenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C18H20N4O3
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| Molecular Weight |
340.383
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| Canonical SMILES |
CC(C)OC(=O)/C=C\n1cnc(-c2cc(C#N)cc(OC(C)C)c2)n1
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| InChI |
InChI=1S/C18H20N4O3/c1-12(2)24-16-8-14(10-19)7-15(9-16)18-20-11-22(21-18)6-5-17(23)25-13(3)4/h5-9,11-13H,1-4H3/b6-5-
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| InChIKey |
PVJQRXHUJMIJHV-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