General Information of the Compound
| Compound ID |
CP0413713
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| Compound Name |
3-butyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H25F3N4
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| Molecular Weight |
402.464
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| Canonical SMILES |
CCCCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N4/c1-2-3-9-19-26-27-21-20(22(23,24)25)18(12-15-29(19)21)28-13-10-17(11-14-28)16-7-5-4-6-8-16/h4-8,12,15,17H,2-3,9-11,13-14H2,1H3
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| InChIKey |
OVHBEKVNHLICMZ-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