General Information of the Compound
| Compound ID |
CP0920265
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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,N-dimethyl-benzamide hydrochloride
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| Structure |
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| Formula |
C28H28BrCl3N6O4
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| Molecular Weight |
698.833
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| Canonical SMILES |
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)C)c4)c3Cl)cccn2c1Br.Cl
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| InChI |
InChI=1S/C28H27BrCl2N6O4.ClH/c1-16-25(29)37-12-6-9-22(26(37)33-16)41-15-19-20(30)10-11-21(24(19)31)36(4)23(38)14-32-28(40)34-18-8-5-7-17(13-18)27(39)35(2)3;/h5-13H,14-15H2,1-4H3,(H2,32,34,40);1H
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| InChIKey |
PQSOKWBCARQSMM-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