General Information of the Compound
| Compound ID |
CP0402030
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| Compound Name |
2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide
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| Structure |
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| Formula |
C26H36N4O2
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| Molecular Weight |
436.6
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| Canonical SMILES |
CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O
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| InChI |
InChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
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| InChIKey |
AMSDLHMBLLSAKF-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor