General Information of the Compound
| Compound ID |
CP0245429
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| Compound Name |
5-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-pyridine-2-carboxylic acid methylamide
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| Structure |
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| Formula |
C36H32Cl2N6O5
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| Molecular Weight |
699.595
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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)cn1
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| InChI |
InChI=1S/C36H32Cl2N6O5/c1-22-17-31(48-20-24-7-4-5-16-40-24)25-8-6-9-30(35(25)43-22)49-21-26-27(37)12-14-29(34(26)38)44(3)33(46)19-42-32(45)15-11-23-10-13-28(41-18-23)36(47)39-2/h4-18H,19-21H2,1-3H3,(H,39,47)(H,42,45)/b15-11+
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| InChIKey |
PWSCYKKHTVJAMK-RVDMUPIBSA-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