General Information of the Compound
| Compound ID |
CP0562171
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| Compound Name |
1-benzyl-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-2-one
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| Structure |
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| Formula |
C26H35N3O2
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| Molecular Weight |
421.585
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| Canonical SMILES |
O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)CCN1Cc1ccccc1
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| InChI |
InChI=1S/C26H35N3O2/c30-26-22-28(17-18-29(26)21-23-8-3-1-4-9-23)20-24-10-12-25(13-11-24)31-19-7-16-27-14-5-2-6-15-27/h1,3-4,8-13H,2,5-7,14-22H2
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| InChIKey |
SCSILUQKBLXUIE-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