General Information of the Compound
| Compound ID |
CP0902432
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| Compound Name |
2-[3-(3-Acetyl-phenyl)-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 |
C27H25BrCl3N5O4
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| Molecular Weight |
669.791
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| Canonical SMILES |
CC(=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/C27H24BrCl2N5O4.ClH/c1-15-25(28)35-11-5-8-22(26(35)32-15)39-14-19-20(29)9-10-21(24(19)30)34(3)23(37)13-31-27(38)33-18-7-4-6-17(12-18)16(2)36;/h4-12H,13-14H2,1-3H3,(H2,31,33,38);1H
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| InChIKey |
LHGOSZJQGYTHPN-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