General Information of the Compound
| Compound ID |
CP0474418
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| Compound Name |
6-[Ethyl-(4-isopropyl-3-propoxyphenyl)amino]nicotinic acid
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| Structure |
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| Formula |
C20H26N2O3
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| Molecular Weight |
342.439
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| Canonical SMILES |
CCCOc1cc(ccc1C(C)C)N(CC)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C20H26N2O3/c1-5-11-25-18-12-16(8-9-17(18)14(3)4)22(6-2)19-10-7-15(13-21-19)20(23)24/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,24)
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| InChIKey |
YAOLHBZSNTZZQF-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