General Information of the Compound
| Compound ID |
CP0212766
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| Compound Name |
(E)-N-[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-3-[6-(2-pyridin-4-yl-acetylamino)-pyridin-3-yl]-acrylamide
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| Structure |
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| Formula |
C41H35Cl2N7O5
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| Molecular Weight |
776.681
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(NC(=O)Cc2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
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| InChI |
InChI=1S/C41H35Cl2N7O5/c1-26-20-35(54-24-29-6-3-4-17-45-29)30-7-5-8-34(41(30)48-26)55-25-31-32(42)11-12-33(40(31)43)50(2)39(53)23-47-37(51)14-10-28-9-13-36(46-22-28)49-38(52)21-27-15-18-44-19-16-27/h3-20,22H,21,23-25H2,1-2H3,(H,47,51)(H,46,49,52)/b14-10+
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| InChIKey |
MCSLMHUPKUACLG-GXDHUFHOSA-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