General Information of the Compound
| Compound ID |
CP0480999
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| Compound Name |
2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C27H27FN8
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| Molecular Weight |
482.567
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| Canonical SMILES |
Cc1cccc(n1)-c1[nH]c(CNc2cccc(CN3CCCC3)c2F)nc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C27H27FN8/c1-18-6-4-9-22(32-18)27-26(20-10-11-24-30-17-31-36(24)16-20)33-23(34-27)14-29-21-8-5-7-19(25(21)28)15-35-12-2-3-13-35/h4-11,16-17,29H,2-3,12-15H2,1H3,(H,33,34)
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| InChIKey |
YQQSEYVOYLGOQH-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