General Information of the Compound
| Compound ID |
CP0498756
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| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(3'-methyl)piperazine
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| Structure |
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| Formula |
C23H32N2O2
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| Molecular Weight |
368.521
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCN2CCN(C)CC2)c1
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| InChI |
InChI=1S/C23H32N2O2/c1-24-14-16-25(17-15-24)13-6-18-27-23-10-4-3-8-21(23)12-11-20-7-5-9-22(19-20)26-2/h3-5,7-10,19H,6,11-18H2,1-2H3
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| InChIKey |
QKYNUPXNXUUVHU-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