General Information of the Compound
| Compound ID |
CP0463331
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| Compound Name |
3-(cyclopropylmethyl)-7-[3-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C23H18F4N4O
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| Molecular Weight |
442.416
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| Canonical SMILES |
Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1
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| InChI |
InChI=1S/C23H18F4N4O/c1-13-10-16(6-8-28-13)32-19-5-4-15(12-18(19)24)17-7-9-31-20(11-14-2-3-14)29-30-22(31)21(17)23(25,26)27/h4-10,12,14H,2-3,11H2,1H3
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| InChIKey |
RJDUDNJPUMXPBA-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