General Information of the Compound
| Compound ID |
CP0456601
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| Compound Name |
3-[[1-(4-methoxyphenyl)ethyl-(quinoline-3-carbonyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C27H24N2O4
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| Molecular Weight |
440.499
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| Canonical SMILES |
COc1ccc(cc1)C(C)N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C27H24N2O4/c1-18(20-10-12-24(33-2)13-11-20)29(17-19-6-5-8-22(14-19)27(31)32)26(30)23-15-21-7-3-4-9-25(21)28-16-23/h3-16,18H,17H2,1-2H3,(H,31,32)
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| InChIKey |
CISIDUHYOJBXAM-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