General Information of the Compound
| Compound ID |
CP0479761
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| Compound Name |
1-[3-[4-[4-(4-piperidin-1-ylbutoxy)phenyl]phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C29H42N2O2
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| Molecular Weight |
450.667
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| Canonical SMILES |
C(CCN1CCCCC1)COc1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C29H42N2O2/c1-3-18-30(19-4-1)22-7-8-24-32-28-14-10-26(11-15-28)27-12-16-29(17-13-27)33-25-9-23-31-20-5-2-6-21-31/h10-17H,1-9,18-25H2
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| InChIKey |
KJOKCCIMCKAQSF-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