General Information of the Compound
| Compound ID |
CP0460444
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| Compound Name |
4-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-2-fluoro-N-[(6-methoxypyridin-3-yl)methyl]aniline
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| Structure |
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| Formula |
C24H21F4N5O
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| Molecular Weight |
471.458
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| Canonical SMILES |
COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
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| InChI |
InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3
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| InChIKey |
ZXOJYKOGKAXEMM-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