General Information of the Compound
| Compound ID |
CP0943847
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| Compound Name |
(Z)-azetidin-3-yl 3-(3-(3-methoxy-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C16H15F3N4O3
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| Molecular Weight |
368.315
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| Canonical SMILES |
COc1cc(-c2ncn(/C=C\C(=O)OC3CNC3)n2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C16H15F3N4O3/c1-25-12-5-10(4-11(6-12)16(17,18)19)15-21-9-23(22-15)3-2-14(24)26-13-7-20-8-13/h2-6,9,13,20H,7-8H2,1H3/b3-2-
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| InChIKey |
GOWWQHMCOOJLAY-IHWYPQMZSA-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