General Information of the Compound
| Compound ID |
CP0376958
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| Compound Name |
3-(cyclopropylmethyl)-7-[(4-methoxy-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C24H27F3N4O
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| Molecular Weight |
444.501
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| Canonical SMILES |
COC1(CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1)c1ccccc1
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| InChI |
InChI=1S/C24H27F3N4O/c1-32-23(19-5-3-2-4-6-19)10-13-30(14-11-23)16-18-9-12-31-20(15-17-7-8-17)28-29-22(31)21(18)24(25,26)27/h2-6,9,12,17H,7-8,10-11,13-16H2,1H3
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| InChIKey |
MAVKFUFZJPOWRW-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