General Information of the Compound
| Compound ID |
CP0385237
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| Compound Name |
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C25H27ClN2O2
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| Molecular Weight |
422.956
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(Cl)c(c2)-c2ccccc2OC)CC1
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| InChI |
InChI=1S/C25H27ClN2O2/c1-29-24-9-5-3-7-20(24)21-17-19(11-12-22(21)26)18-27-13-15-28(16-14-27)23-8-4-6-10-25(23)30-2/h3-12,17H,13-16,18H2,1-2H3
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| InChIKey |
APJODNDBBZDIBK-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