General Information of the Compound
| Compound ID |
CP0489390
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| Compound Name |
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
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| Structure |
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| Formula |
C31H44N2O3
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| Molecular Weight |
492.704
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| Canonical SMILES |
O=C(CCc1ccc(OCCCN2CCCCC2)cc1)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C31H44N2O3/c34-31(28-12-16-30(17-13-28)36-26-8-24-33-21-5-2-6-22-33)18-11-27-9-14-29(15-10-27)35-25-7-23-32-19-3-1-4-20-32/h9-10,12-17H,1-8,11,18-26H2
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| InChIKey |
REBWTRDQCCIPKR-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