General Information of the Compound
| Compound ID |
CP0135118
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| Compound Name |
4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-2-methoxy-N-methyl-benzamide
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| Structure |
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| Formula |
C38H35Cl2N5O6
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| Molecular Weight |
728.633
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1OC
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| InChI |
InChI=1S/C38H35Cl2N5O6/c1-23-18-33(50-21-25-8-5-6-17-42-25)26-9-7-10-31(37(26)44-23)51-22-28-29(39)14-15-30(36(28)40)45(3)35(47)20-43-34(46)16-12-24-11-13-27(38(48)41-2)32(19-24)49-4/h5-19H,20-22H2,1-4H3,(H,41,48)(H,43,46)/b16-12+
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| InChIKey |
AXGOVEYCGLKHAC-FOWTUZBSSA-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