General Information of the Compound
| Compound ID |
CP0853135
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| Compound Name |
8-amino-2-(3,4-dimethoxyphenyl)-N-(3-(4-methylpiperazin-1-yl)propyl)imidazo[1,2-a]pyridine-6-carboxamide trihydrochloride
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| Structure |
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| Formula |
C24H35Cl3N6O3
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| Molecular Weight |
561.942
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| Canonical SMILES |
COc1ccc(-c2cn3cc(C(=O)NCCCN4CCN(C)CC4)cc(N)c3n2)cc1OC.Cl.Cl.Cl
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| InChI |
InChI=1S/C24H32N6O3.3ClH/c1-28-9-11-29(12-10-28)8-4-7-26-24(31)18-13-19(25)23-27-20(16-30(23)15-18)17-5-6-21(32-2)22(14-17)33-3;;;/h5-6,13-16H,4,7-12,25H2,1-3H3,(H,26,31);3*1H
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| InChIKey |
PDCVAHADFVYUPQ-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