General Information of the Compound
| Compound ID |
CP0887793
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| Compound Name |
3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(3-bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; Dihydrochloride
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| Structure |
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| Formula |
C28H27BrCl4N6O4
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| Molecular Weight |
733.278
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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)cn1.Cl.Cl
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| InChI |
InChI=1S/C28H25BrCl2N6O4.2ClH/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38;;/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38);2*1H/b11-7+;;
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| InChIKey |
BMCGLVCNVUMJNU-FCVAESPPSA-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