General Information of the Compound
| Compound ID |
CP0398983
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| Compound Name |
2-(1-((5-(4-chlorophenyl)furan-2-yl)methyl)piperidin-4-yl)-N-(4-fluorobenzyl)-N-(2-hydroxy-3-methoxypropyl)acetamide
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| Structure |
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| Formula |
C29H34ClFN2O4
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| Molecular Weight |
529.052
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| Canonical SMILES |
COCC(O)CN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C29H34ClFN2O4/c1-36-20-26(34)18-33(17-22-2-8-25(31)9-3-22)29(35)16-21-12-14-32(15-13-21)19-27-10-11-28(37-27)23-4-6-24(30)7-5-23/h2-11,21,26,34H,12-20H2,1H3
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| InChIKey |
IASPSPWFDMHKDS-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