General Information of the Compound
| Compound ID |
CP0294525
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| Compound Name |
N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
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| Structure |
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| Formula |
C20H24F3N3O
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| Molecular Weight |
379.426
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| Canonical SMILES |
CCCCN(C)C(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F
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| InChI |
InChI=1S/C20H24F3N3O/c1-3-4-13-25(2)19(27)14-9-11-15(12-10-14)26-17-8-6-5-7-16(17)18(24-26)20(21,22)23/h9-12H,3-8,13H2,1-2H3
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| InChIKey |
KYGYKTIJFNMXMQ-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