General Information of the Compound
| Compound ID |
CP0456056
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| Compound Name |
2-(1-((5-(4-chlorophenyl)furan-2-yl)methyl)piperidin-4-yl)-1-(3-(hydroxymethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C24H31ClN2O3
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| Molecular Weight |
430.976
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| Canonical SMILES |
OCC1CCCN(C1)C(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C24H31ClN2O3/c25-21-5-3-20(4-6-21)23-8-7-22(30-23)16-26-12-9-18(10-13-26)14-24(29)27-11-1-2-19(15-27)17-28/h3-8,18-19,28H,1-2,9-17H2
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| InChIKey |
ZAXPNQCHLXWUKI-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2