General Information of the Compound
| Compound ID |
CP0885968
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| Compound Name |
2-(3-Benzyl-ureido)-N-[3-(3-bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-N-methyl-acetamide hydrochloride
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| Structure |
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| Formula |
C26H25BrCl3N5O3
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| Molecular Weight |
641.781
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| Canonical SMILES |
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)NCc4ccccc4)c3Cl)cccn2c1Br.Cl
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| InChI |
InChI=1S/C26H24BrCl2N5O3.ClH/c1-16-24(27)34-12-6-9-21(25(34)32-16)37-15-18-19(28)10-11-20(23(18)29)33(2)22(35)14-31-26(36)30-13-17-7-4-3-5-8-17;/h3-12H,13-15H2,1-2H3,(H2,30,31,36);1H
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| InChIKey |
JSTROHXJAJVOJH-UHFFFAOYSA-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