General Information of the Compound
| Compound ID |
CP0472274
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| Compound Name |
8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C30H42N4O
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| Molecular Weight |
474.693
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| Canonical SMILES |
CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
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| InChI |
InChI=1S/C30H42N4O/c1-4-18-31-19-22-33-23-34(24-10-6-5-7-11-24)30(28(33)35)16-20-32(21-17-30)27-14-15-29(2,3)26-13-9-8-12-25(26)27/h5-13,27,31H,4,14-23H2,1-3H3
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| InChIKey |
UYKIELXFWCAQSU-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