General Information of the Compound
| Compound ID |
CP0442870
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| Compound Name |
1-(4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)piperazin-1-yl)-2-(1-methyl-1H-imidazol-4-yl)ethanone
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| Structure |
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| Formula |
C21H22Cl2N6O2
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| Molecular Weight |
461.353
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| Canonical SMILES |
Cn1cnc(CC(=O)N2CCN(CC2)c2nccc(OCc3ccc(Cl)cc3Cl)n2)c1
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| InChI |
InChI=1S/C21H22Cl2N6O2/c1-27-12-17(25-14-27)11-20(30)28-6-8-29(9-7-28)21-24-5-4-19(26-21)31-13-15-2-3-16(22)10-18(15)23/h2-5,10,12,14H,6-9,11,13H2,1H3
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| InChIKey |
JMGITMLELMVEAI-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