General Information of the Compound
| Compound ID |
CP0375819
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| Compound Name |
N,N-dimethyl-2-(pyrazol-1-ylmethyl)-3-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropanamide
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| Structure |
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| Formula |
C20H28N4O2S
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| Molecular Weight |
388.537
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| Canonical SMILES |
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cn1cccn1
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| InChI |
InChI=1S/C20H28N4O2S/c1-22(2)19(25)17(15-24-9-3-8-21-24)14-23-10-6-20(7-11-23)18-16(4-12-26-20)5-13-27-18/h3,5,8-9,13,17H,4,6-7,10-12,14-15H2,1-2H3
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| InChIKey |
JEMCPFWOAWEARU-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor