General Information of the Compound
| Compound ID |
CP0878976
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| Compound Name |
5-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-4-morpholin-4-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridine-2-carboxylic acid methylamide; Trihydrochloride
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| Structure |
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| Formula |
C34H35Cl3N6O5
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| Molecular Weight |
714.05
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| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCOCC5)cc(C)nc34)c2Cl)cn1.Cl
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| InChI |
InChI=1S/C34H34Cl2N6O5.ClH/c1-21-17-28(42-13-15-46-16-14-42)23-5-4-6-29(33(23)40-21)47-20-24-25(35)9-11-27(32(24)36)41(3)31(44)19-39-30(43)12-8-22-7-10-26(38-18-22)34(45)37-2;/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,37,45)(H,39,43);1H/b12-8+;
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| InChIKey |
SBBJSXMXLMTHTQ-MXZHIVQLSA-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