General Information of the Compound
| Compound ID |
CP0556850
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| Compound Name |
1-[3-[4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]phenoxy]propyl]piperidine
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| Structure |
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| Formula |
C30H44N2O2
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| Molecular Weight |
464.694
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| Canonical SMILES |
C(COc1ccc(CCc2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C30H44N2O2/c1-3-19-31(20-4-1)23-7-25-33-29-15-11-27(12-16-29)9-10-28-13-17-30(18-14-28)34-26-8-24-32-21-5-2-6-22-32/h11-18H,1-10,19-26H2
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| InChIKey |
YIPZCNUQIVFNNB-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