General Information of the Compound
| Compound ID |
CP0523171
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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]-benzoic acid ethyl ester
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| Structure |
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| Formula |
C28H26BrCl2N5O5
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| Molecular Weight |
663.356
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| Canonical SMILES |
CCOC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1
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| InChI |
InChI=1S/C28H26BrCl2N5O5/c1-4-40-27(38)17-7-5-8-18(13-17)34-28(39)32-14-23(37)35(3)21-11-10-20(30)19(24(21)31)15-41-22-9-6-12-36-25(29)16(2)33-26(22)36/h5-13H,4,14-15H2,1-3H3,(H2,32,34,39)
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| InChIKey |
WPTPTGUJNMOSCY-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