General Information of the Compound
| Compound ID |
CP0279530
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| Compound Name |
2-[8-[[2,6-dichloro-3-[methyl-[2-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]acetyl]amino]phenyl]methoxy]-2-methylquinolin-4-yl]oxyacetic acid
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| Structure |
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| Formula |
C33H30Cl2N4O7
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| Molecular Weight |
665.53
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCC(O)=O)cc(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C33H30Cl2N4O7/c1-19-15-27(46-18-30(42)43)22-5-4-6-26(32(22)38-19)45-17-23-24(34)12-13-25(31(23)35)39(3)29(41)16-37-28(40)14-9-20-7-10-21(11-8-20)33(44)36-2/h4-15H,16-18H2,1-3H3,(H,36,44)(H,37,40)(H,42,43)/b14-9+
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| InChIKey |
SXOGLZRMNGKCAB-NTEUORMPSA-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