General Information of the Compound
| Compound ID |
CP0234057
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| Compound Name |
4-((4-(benzo[d][1,3]dioxol-5-yl)-5-(6-ethylpyridin-2-yl)-1H-imidazol-2-yl)methylamino)benzamide
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| Structure |
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| Formula |
C25H23N5O3
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| Molecular Weight |
441.491
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| Canonical SMILES |
CCc1cccc(n1)-c1nc(CNc2ccc(cc2)C(N)=O)[nH]c1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H23N5O3/c1-2-17-4-3-5-19(28-17)24-23(16-8-11-20-21(12-16)33-14-32-20)29-22(30-24)13-27-18-9-6-15(7-10-18)25(26)31/h3-12,27H,2,13-14H2,1H3,(H2,26,31)(H,29,30)
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| InChIKey |
LMFNLMCNYBKJLS-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