General Information of the Compound
| Compound ID |
CP0530149
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| Compound Name |
2-[4-[2-[hexyl(methyl)amino]ethylcarbamoyl]pyridin-2-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C21H28N4O3
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| Molecular Weight |
384.48
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| Canonical SMILES |
CCCCCCN(C)CCNC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C21H28N4O3/c1-3-4-5-6-12-25(2)13-11-24-20(26)16-7-9-22-18(14-16)19-15-17(21(27)28)8-10-23-19/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,24,26)(H,27,28)
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| InChIKey |
GIUZQCRIIBPLIJ-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