General Information of the Compound
| Compound ID |
CP0428097
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| Compound Name |
1-phenyl-8-pyridin-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C19H22N4O
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| Molecular Weight |
322.412
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| Canonical SMILES |
O=C1NCN(c2ccccc2)C11CCN(Cc2cccnc2)CC1
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| InChI |
InChI=1S/C19H22N4O/c24-18-19(23(15-21-18)17-6-2-1-3-7-17)8-11-22(12-9-19)14-16-5-4-10-20-13-16/h1-7,10,13H,8-9,11-12,14-15H2,(H,21,24)
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| InChIKey |
PJAYESDXFUNVMS-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