General Information of the Compound
| Compound ID |
CP0375078
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| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(N-methyl)piperazine
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| Structure |
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| Formula |
C25H36N2O2
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| Molecular Weight |
396.575
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCCN2CCN(C)CC2)c1
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| InChI |
InChI=1S/C25H36N2O2/c1-26-16-18-27(19-17-26)15-6-3-7-20-29-25-12-5-4-10-23(25)14-13-22-9-8-11-24(21-22)28-2/h4-5,8-12,21H,3,6-7,13-20H2,1-2H3
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| InChIKey |
LLXLPZBGURLCLX-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