General Information of the Compound
| Compound ID |
CP0439282
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| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(N-methyl)piperazine
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| Structure |
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| Formula |
C22H30N2O2
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| Molecular Weight |
354.494
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCN2CCN(C)CC2)c1
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| InChI |
InChI=1S/C22H30N2O2/c1-23-12-14-24(15-13-23)16-17-26-22-9-4-3-7-20(22)11-10-19-6-5-8-21(18-19)25-2/h3-9,18H,10-17H2,1-2H3
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| InChIKey |
QNUFXAULMIMQGB-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