General Information of the Compound
| Compound ID |
CP0436366
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| Compound Name |
2-(4,5-dimethoxy-2-morpholin-4-ylsulfonylphenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
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| Structure |
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| Formula |
C27H37N3O6S
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| Molecular Weight |
531.675
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| Canonical SMILES |
COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C27H37N3O6S/c1-28(23(20-29-11-7-8-12-29)21-9-5-4-6-10-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)37(32,33)30-13-15-36-16-14-30/h4-6,9-10,17,19,23H,7-8,11-16,18,20H2,1-3H3/t23-/m1/s1
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| InChIKey |
NMAGBJWNYCHJFX-HSZRJFAPSA-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