General Information of the Compound
| Compound ID |
CP0460459
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| Compound Name |
4-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-[(6-methoxypyridin-3-yl)methyl]aniline
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| Structure |
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| Formula |
C24H22F3N5O
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| Molecular Weight |
453.468
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| Canonical SMILES |
COc1ccc(CNc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
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| InChI |
InChI=1S/C24H22F3N5O/c1-33-21-9-4-16(14-29-21)13-28-18-7-5-17(6-8-18)19-10-11-32-20(12-15-2-3-15)30-31-23(32)22(19)24(25,26)27/h4-11,14-15,28H,2-3,12-13H2,1H3
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| InChIKey |
YCNAZWWKISZLST-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