General Information of the Compound
| Compound ID |
CP0401324
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| Compound Name |
3-[2-(cyclobutylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H42N4O
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| Molecular Weight |
486.704
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| Canonical SMILES |
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C31H42N4O/c1-30(2)16-15-28(26-13-6-7-14-27(26)30)33-20-17-31(18-21-33)29(36)34(22-19-32-24-9-8-10-24)23-35(31)25-11-4-3-5-12-25/h3-7,11-14,24,28,32H,8-10,15-23H2,1-2H3
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| InChIKey |
KBWCMSUFRLCWIT-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