General Information of the Compound
| Compound ID |
CP0516602
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| Compound Name |
6-[Ethyl-(4-isopropyl-3-phenethyloxyphenyl)amino]nicotinic acid
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| Structure |
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| Formula |
C25H28N2O3
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| Molecular Weight |
404.51
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| Canonical SMILES |
CCN(c1ccc(C(C)C)c(OCCc2ccccc2)c1)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C25H28N2O3/c1-4-27(24-13-10-20(17-26-24)25(28)29)21-11-12-22(18(2)3)23(16-21)30-15-14-19-8-6-5-7-9-19/h5-13,16-18H,4,14-15H2,1-3H3,(H,28,29)
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| InChIKey |
UGFGGMRMQKAECJ-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