General Information of the Compound
| Compound ID |
CP0885966
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| Compound Name |
5-{2-[({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridine-2-carboxylic acid dimethylamide; Dihydrochloride
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| Structure |
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| Formula |
C29H29BrCl4N6O4
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| Molecular Weight |
747.305
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| Canonical SMILES |
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)nc4)c3Cl)cccn2c1Br.Cl.Cl
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| InChI |
InChI=1S/C29H27BrCl2N6O4.2ClH/c1-17-27(30)38-13-5-6-23(28(38)35-17)42-16-19-20(31)9-11-22(26(19)32)37(4)25(40)15-34-24(39)12-8-18-7-10-21(33-14-18)29(41)36(2)3;;/h5-14H,15-16H2,1-4H3,(H,34,39);2*1H/b12-8+;;
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| InChIKey |
KKLYRWLOZADTBR-BPWZRWDXSA-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