General Information of the Compound
| Compound ID |
CP0862913
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; Dihydrochloride
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| Structure |
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| Formula |
C33H35Cl4N5O4
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| Molecular Weight |
707.486
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)nc34)c2Cl)cc1.Cl.Cl
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| InChI |
InChI=1S/C33H33Cl2N5O4.2ClH/c1-20-17-27(39(3)4)23-7-6-8-28(32(23)38-20)44-19-24-25(34)14-15-26(31(24)35)40(5)30(42)18-37-29(41)16-11-21-9-12-22(13-10-21)33(43)36-2;;/h6-17H,18-19H2,1-5H3,(H,36,43)(H,37,41);2*1H/b16-11+;;
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| InChIKey |
UWFWDMUHOKXGRZ-RPVSWQTKSA-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