General Information of the Compound
| Compound ID |
CP0498754
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| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(4'-fluorophenyl)piperazine
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| Structure |
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| Formula |
C29H35FN2O2
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| Molecular Weight |
462.609
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C29H35FN2O2/c1-33-28-9-6-7-24(23-28)11-12-25-8-2-3-10-29(25)34-22-5-4-17-31-18-20-32(21-19-31)27-15-13-26(30)14-16-27/h2-3,6-10,13-16,23H,4-5,11-12,17-22H2,1H3
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| InChIKey |
DTCOBDNXWXNEKW-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