General Information of the Compound
| Compound ID |
CP0150906
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-[({2,4-dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-acrylamide
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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 |
CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
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| InChI |
InChI=1S/C36H32Cl2N6O5/c1-22-17-31(48-20-25-7-4-5-16-39-25)26-8-6-9-30(36(26)42-22)49-21-27-28(37)12-13-29(35(27)38)44(3)34(47)19-41-33(46)15-11-24-10-14-32(40-18-24)43-23(2)45/h4-18H,19-21H2,1-3H3,(H,41,46)(H,40,43,45)/b15-11+
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| InChIKey |
HUIRGIMLGXAZCO-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