General Information of the Compound
| Compound ID |
CP0481000
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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]-2-(morpholin-4-ylmethyl)benzonitrile
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| Structure |
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| Formula |
C28H27N9O
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| Molecular Weight |
505.586
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| Canonical SMILES |
Cc1cccc(n1)-c1[nH]c(CNc2cccc(C#N)c2CN2CCOCC2)nc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C28H27N9O/c1-19-4-2-7-24(33-19)28-27(21-8-9-26-31-18-32-37(26)16-21)34-25(35-28)15-30-23-6-3-5-20(14-29)22(23)17-36-10-12-38-13-11-36/h2-9,16,18,30H,10-13,15,17H2,1H3,(H,34,35)
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| InChIKey |
VPODDVIXQZTAJG-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