General Information of the Compound
| Compound ID |
CP0439568
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| Compound Name |
3-{2-[bis(propan-2-yl)amino]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 |
C33H48N4O
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| Molecular Weight |
516.774
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| Canonical SMILES |
CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C
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| InChI |
InChI=1S/C33H48N4O/c1-25(2)36(26(3)4)23-22-35-24-37(27-12-8-7-9-13-27)33(31(35)38)18-20-34(21-19-33)30-16-17-32(5,6)29-15-11-10-14-28(29)30/h7-15,25-26,30H,16-24H2,1-6H3
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| InChIKey |
OYYKUZKRRODNKD-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