General Information of the Compound
| Compound ID |
CP0436370
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| Compound Name |
2-(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 |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H26N2O3/c1-23(22(25)14-17-9-10-20-21(13-17)27-16-26-20)19(15-24-11-5-6-12-24)18-7-3-2-4-8-18/h2-4,7-10,13,19H,5-6,11-12,14-16H2,1H3/t19-/m1/s1
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| InChIKey |
WZXRZUIDXQFXGL-LJQANCHMSA-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