General Information of the Compound
| Compound ID |
CP0529160
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| Compound Name |
2-(4-methoxyphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
COc1ccc(OCC(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H32N2O3/c1-29-23-11-13-24(14-12-23)30-19-25(28)27-17-15-26(16-18-27)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-6,11-14,21-22H,7-10,15-19H2,1H3
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| InChIKey |
FORDYNRGDAQIKI-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