General Information of the Compound
| Compound ID |
CP0478166
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| Compound Name |
2-[6-(dimethylsulfamoyl)-1,3-benzodioxol-5-yl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
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| Structure |
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| Formula |
C24H31N3O5S
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| Molecular Weight |
473.595
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| Canonical SMILES |
CN(C)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C24H31N3O5S/c1-25(2)33(29,30)23-15-22-21(31-17-32-22)13-19(23)14-24(28)26(3)20(16-27-11-7-8-12-27)18-9-5-4-6-10-18/h4-6,9-10,13,15,20H,7-8,11-12,14,16-17H2,1-3H3/t20-/m1/s1
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| InChIKey |
PUAPBDKIOINQTP-HXUWFJFHSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor