General Information of the Compound
| Compound ID |
CP0389086
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| Compound Name |
4-[[1-(1,3-benzodioxol-5-yl)-2-(6-methylpyridin-2-yl)imidazol-4-yl]methylamino]benzonitrile
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| Structure |
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| Formula |
C24H19N5O2
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| Molecular Weight |
409.449
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(CNc2ccc(cc2)C#N)cn1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H19N5O2/c1-16-3-2-4-21(27-16)24-28-19(13-26-18-7-5-17(12-25)6-8-18)14-29(24)20-9-10-22-23(11-20)31-15-30-22/h2-11,14,26H,13,15H2,1H3
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| InChIKey |
RZVZTOPSKVDMKI-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