General Information of the Compound
| Compound ID |
CP0267244
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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)-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C38H35Cl2N5O5
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| Molecular Weight |
712.634
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| Canonical SMILES |
CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C38H35Cl2N5O5/c1-24-20-33(49-22-27-8-5-6-19-41-27)28-9-7-10-32(37(28)43-24)50-23-29-30(39)16-17-31(36(29)40)45(4)35(47)21-42-34(46)18-13-25-11-14-26(15-12-25)38(48)44(2)3/h5-20H,21-23H2,1-4H3,(H,42,46)/b18-13+
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| InChIKey |
OBJKMOWHINYZJR-QGOAFFKASA-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