General Information of the Compound
| Compound ID |
CP0948153
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| Compound Name |
isopropyl 2-((3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methyl)acrylate
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| Structure |
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| Formula |
C17H18F3N3O3
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| Molecular Weight |
369.343
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| Canonical SMILES |
C=C(Cn1cnc(-c2cc(OC)cc(C(F)(F)F)c2)n1)C(=O)OC(C)C
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| InChI |
InChI=1S/C17H18F3N3O3/c1-10(2)26-16(24)11(3)8-23-9-21-15(22-23)12-5-13(17(18,19)20)7-14(6-12)25-4/h5-7,9-10H,3,8H2,1-2,4H3
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| InChIKey |
RGZGFKVPICSNGD-UHFFFAOYSA-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