General Information of the Compound
| Compound ID |
CP0240852
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| Compound Name |
1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
O=C(COc1ccccc1)N1CCN(CC1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H31N3O2/c28-24(20-29-23-9-5-2-6-10-23)27-17-15-26(16-18-27)22-11-13-25(14-12-22)19-21-7-3-1-4-8-21/h1-10,22H,11-20H2
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| InChIKey |
WNIKHMMTZLLSKH-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