General Information of the Compound
| Compound ID |
CP0357474
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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 ((E)-2-pyridin-4-yl-vinyl)-amide
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| Structure |
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| Formula |
C42H35Cl2N7O5
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| Molecular Weight |
788.692
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(nc1)C(=O)N\C=C\c1ccncc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
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| InChI |
InChI=1S/C42H35Cl2N7O5/c1-27-22-37(55-25-30-6-3-4-18-46-30)31-7-5-8-36(41(31)50-27)56-26-32-33(43)11-13-35(40(32)44)51(2)39(53)24-49-38(52)14-10-29-9-12-34(48-23-29)42(54)47-21-17-28-15-19-45-20-16-28/h3-23H,24-26H2,1-2H3,(H,47,54)(H,49,52)/b14-10+,21-17+
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| InChIKey |
YJBVDOCDFQIKMV-MGDPKXSQSA-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