General Information of the Compound
| Compound ID |
CP0086955
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| Compound Name |
3-((4-(benzo[d][1,3]dioxol-5-yl)-5-(6-ethylpyridin-2-yl)-1H-imidazol-2-yl)methylamino)benzonitrile
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| Structure |
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| Formula |
C25H21N5O2
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| Molecular Weight |
423.476
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| Canonical SMILES |
CCc1cccc(n1)-c1nc(CNc2cccc(c2)C#N)[nH]c1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H21N5O2/c1-2-18-6-4-8-20(28-18)25-24(17-9-10-21-22(12-17)32-15-31-21)29-23(30-25)14-27-19-7-3-5-16(11-19)13-26/h3-12,27H,2,14-15H2,1H3,(H,29,30)
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| InChIKey |
SGEQFWVJJWEDOG-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