General Information of the Compound
| Compound ID |
CP0011145
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| Compound Name |
6-[Ethyl-(4-isopropyl-3-pentyloxyphenyl)amino]nicotinic acid
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| Structure |
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| Formula |
C22H30N2O3
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| Molecular Weight |
370.493
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| Canonical SMILES |
CCCCCOc1cc(ccc1C(C)C)N(CC)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C22H30N2O3/c1-5-7-8-13-27-20-14-18(10-11-19(20)16(3)4)24(6-2)21-12-9-17(15-23-21)22(25)26/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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| InChIKey |
JRBXGVGBWIDBDC-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