General Information of the Compound
| Compound ID |
CP0501250
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| Compound Name |
8-(5,8-Dichloro-1,2,3,4-tetrahydro-naphthalen-2-yl)-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C24H27Cl2N3O
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| Molecular Weight |
444.406
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| Canonical SMILES |
CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
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| InChI |
InChI=1S/C24H27Cl2N3O/c1-27-16-29(17-5-3-2-4-6-17)24(23(27)30)11-13-28(14-12-24)18-7-8-19-20(15-18)22(26)10-9-21(19)25/h2-6,9-10,18H,7-8,11-16H2,1H3
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| InChIKey |
KQCKYRUSOWOAAT-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