General Information of the Compound
| Compound ID |
CP0415650
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| Compound Name |
3-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]-4-(pyrrolidin-1-ylmethyl)benzonitrile
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| Structure |
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| Formula |
C28H27N9
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| Molecular Weight |
489.587
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| Canonical SMILES |
Cc1cccc(n1)-c1[nH]c(CNc2cc(ccc2CN2CCCC2)C#N)nc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C28H27N9/c1-19-5-4-6-23(33-19)28-27(22-9-10-26-31-18-32-37(26)17-22)34-25(35-28)15-30-24-13-20(14-29)7-8-21(24)16-36-11-2-3-12-36/h4-10,13,17-18,30H,2-3,11-12,15-16H2,1H3,(H,34,35)
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| InChIKey |
WKDQUOATEFNKLP-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