General Information of the Compound
| Compound ID |
CP0452723
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| Compound Name |
3-[2-(2'-ethyl-biphenyl-4-yl)-quinolin-4-ylamino]-propionic acid
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| Structure |
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| Formula |
C26H24N2O2
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| Molecular Weight |
396.49
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| Canonical SMILES |
CCc1ccccc1-c1ccc(cc1)-c1cc(NCCC(O)=O)c2ccccc2n1
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| InChI |
InChI=1S/C26H24N2O2/c1-2-18-7-3-4-8-21(18)19-11-13-20(14-12-19)24-17-25(27-16-15-26(29)30)22-9-5-6-10-23(22)28-24/h3-14,17H,2,15-16H2,1H3,(H,27,28)(H,29,30)
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| InChIKey |
BCVLGGVWPGFPJE-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