General Information of the Compound
| Compound ID |
CP0443662
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| Compound Name |
4-Amino-5-chloro-2-methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-benzamide
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| Structure |
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| Formula |
C21H27ClN4O3
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| Molecular Weight |
418.925
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| Canonical SMILES |
COc1ccccc1N1CCN(CCNC(=O)c2cc(Cl)c(N)cc2OC)CC1
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| InChI |
InChI=1S/C21H27ClN4O3/c1-28-19-6-4-3-5-18(19)26-11-9-25(10-12-26)8-7-24-21(27)15-13-16(22)17(23)14-20(15)29-2/h3-6,13-14H,7-12,23H2,1-2H3,(H,24,27)
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| InChIKey |
LHXBLQLSBOWGSX-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