General Information of the Compound
| Compound ID |
CP0454738
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| Compound Name |
1-(2-methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine
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| Structure |
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| Formula |
C26H30N2O2
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| Molecular Weight |
402.538
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(C)c(c2)-c2ccccc2OC)CC1
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| InChI |
InChI=1S/C26H30N2O2/c1-20-12-13-21(18-23(20)22-8-4-6-10-25(22)29-2)19-27-14-16-28(17-15-27)24-9-5-7-11-26(24)30-3/h4-13,18H,14-17,19H2,1-3H3
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| InChIKey |
WTFGXOKFZFZQTP-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