General Information of the Compound
| Compound ID |
CP0375068
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| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(3'-trifluoromethylphenyl)piperazine
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| Structure |
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| Formula |
C30H35F3N2O2
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| Molecular Weight |
512.616
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H35F3N2O2/c1-36-28-12-6-8-24(22-28)14-15-25-9-2-3-13-29(25)37-21-5-4-16-34-17-19-35(20-18-34)27-11-7-10-26(23-27)30(31,32)33/h2-3,6-13,22-23H,4-5,14-21H2,1H3
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| InChIKey |
JGSPPIYFQDHZNR-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