General Information of the Compound
| Compound ID |
CP0945053
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| Compound Name |
(E)-3-(4-Acetylamino-phenyl)-N-({[3-(3-bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-acrylamide hydrochloride
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| Structure |
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| Formula |
C29H27BrCl3N5O4
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| Molecular Weight |
695.829
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| Canonical SMILES |
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1.Cl
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| InChI |
InChI=1S/C29H26BrCl2N5O4.ClH/c1-17-28(30)37-14-4-5-24(29(37)34-17)41-16-21-22(31)11-12-23(27(21)32)36(3)26(40)15-33-25(39)13-8-19-6-9-20(10-7-19)35-18(2)38;/h4-14H,15-16H2,1-3H3,(H,33,39)(H,35,38);1H/b13-8+;
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| InChIKey |
QGCFIIHTHHFYQY-FNXZNAJJSA-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