General Information of the Compound
| Compound ID |
CP0414866
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| Compound Name |
1-[(Z)-2-Cycloheptyloxy-2-(4-trifluoromethyl-phenyl)-vinyl]-1H-[1,2,4]triazole
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| Structure |
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| Formula |
C18H20F3N3O
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| Molecular Weight |
351.372
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(\OC1CCCCCC1)=C\n1cncn1
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| InChI |
InChI=1S/C18H20F3N3O/c19-18(20,21)15-9-7-14(8-10-15)17(11-24-13-22-12-23-24)25-16-5-3-1-2-4-6-16/h7-13,16H,1-6H2/b17-11-
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| InChIKey |
XNYPFHMVWQVGFJ-BOPFTXTBSA-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