General Information of the Compound
| Compound ID |
CP0856319
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| Compound Name |
N-[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-N-methyl-2-[3-(3-nitro-phenyl)-ureido]-acetamide hydrochloride
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| Structure |
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| Formula |
C25H22BrCl3N6O5
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| Molecular Weight |
672.751
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| Canonical SMILES |
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc([N+](=O)[O-])c4)c3Cl)cccn2c1Br.Cl
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| InChI |
InChI=1S/C25H21BrCl2N6O5.ClH/c1-14-23(26)33-10-4-7-20(24(33)30-14)39-13-17-18(27)8-9-19(22(17)28)32(2)21(35)12-29-25(36)31-15-5-3-6-16(11-15)34(37)38;/h3-11H,12-13H2,1-2H3,(H2,29,31,36);1H
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| InChIKey |
FRKXDPQOTNMMDP-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