General Information of the Compound
| Compound ID |
CP0882976
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| Compound Name |
3-[3-({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-ureido]-N-(2-methoxy-ethyl)-benzamide hydrochloride
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| Structure |
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| Formula |
C29H30BrCl3N6O5
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| Molecular Weight |
728.859
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| Canonical SMILES |
COCCNC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1.Cl
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| InChI |
InChI=1S/C29H29BrCl2N6O5.ClH/c1-17-26(30)38-12-5-8-23(27(38)35-17)43-16-20-21(31)9-10-22(25(20)32)37(2)24(39)15-34-29(41)36-19-7-4-6-18(14-19)28(40)33-11-13-42-3;/h4-10,12,14H,11,13,15-16H2,1-3H3,(H,33,40)(H2,34,36,41);1H
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| InChIKey |
WNWRCAAOAJCHPH-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