General Information of the Compound
| Compound ID |
CP0444431
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| Compound Name |
3-((4-(benzo[d][1,3]dioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-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(CNc2cccc(c2)C#N)[nH]c1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H19N5O2/c1-15-4-2-7-19(27-15)24-23(17-8-9-20-21(11-17)31-14-30-20)28-22(29-24)13-26-18-6-3-5-16(10-18)12-25/h2-11,26H,13-14H2,1H3,(H,28,29)
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| InChIKey |
LWTDFRJYMSSGMT-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