General Information of the Compound
| Compound ID |
CP0421769
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| Compound Name |
8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-{2-[(2-methylpropyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H44N4O
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| Molecular Weight |
488.72
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| Canonical SMILES |
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
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| InChI |
InChI=1S/C31H44N4O/c1-24(2)22-32-18-21-34-23-35(25-10-6-5-7-11-25)31(29(34)36)16-19-33(20-17-31)28-14-15-30(3,4)27-13-9-8-12-26(27)28/h5-13,24,28,32H,14-23H2,1-4H3
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| InChIKey |
MTJGMTDHBHXMOS-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