General Information of the Compound
| Compound ID |
CP0421771
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| Compound Name |
8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C26H34Cl2N4O
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| Molecular Weight |
489.491
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| Canonical SMILES |
CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
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| InChI |
InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3
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| InChIKey |
PBHBYYYIKRUVKK-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