General Information of the Compound
| Compound ID |
CP0386700
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| Compound Name |
2-[(2-chlorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C23H28ClFN2O2S
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| Molecular Weight |
451.007
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| Canonical SMILES |
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
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| InChI |
InChI=1S/C23H28ClFN2O2S/c1-26(2)22(28)18(13-16-5-3-4-6-19(16)24)15-27-10-8-23(9-11-27)21-17(7-12-29-23)14-20(25)30-21/h3-6,14,18H,7-13,15H2,1-2H3
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| InChIKey |
RUKSKNXOEXKBPC-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