General Information of the Compound
| Compound ID |
CP0445009
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| Compound Name |
1-phenyl-8-thiophen-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C18H21N3OS
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| Molecular Weight |
327.453
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| Canonical SMILES |
O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
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| InChI |
InChI=1S/C18H21N3OS/c22-17-18(21(14-19-17)16-4-2-1-3-5-16)7-9-20(10-8-18)12-15-6-11-23-13-15/h1-6,11,13H,7-10,12,14H2,(H,19,22)
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| InChIKey |
IWTNZBURNLPQET-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