General Information of the Compound
| Compound ID |
CP0441346
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| Compound Name |
6-{Ethyl-[4-isopropyl-3-(2,2,2-trifluoroethoxy)phenyl]amino}nicotinic acid
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| Structure |
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| Formula |
C19H21F3N2O3
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| Molecular Weight |
382.382
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| Canonical SMILES |
CCN(c1ccc(C(C)C)c(OCC(F)(F)F)c1)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C19H21F3N2O3/c1-4-24(17-8-5-13(10-23-17)18(25)26)14-6-7-15(12(2)3)16(9-14)27-11-19(20,21)22/h5-10,12H,4,11H2,1-3H3,(H,25,26)
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| InChIKey |
QXBNNRJSNPJLQQ-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