General Information of the Compound
| Compound ID |
CP0204147
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| Compound Name |
3-((3S,7R,8R,9alphaR)-3-benzyl-7,8-dimethyl-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol
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| Structure |
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| Formula |
C23H30N2O
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| Molecular Weight |
350.506
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| Canonical SMILES |
C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1
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| InChI |
InChI=1S/C23H30N2O/c1-17-15-25-16-20(11-18-7-4-3-5-8-18)24-14-21(25)13-23(17,2)19-9-6-10-22(26)12-19/h3-10,12,17,20-21,24,26H,11,13-16H2,1-2H3/t17-,20-,21+,23+/m0/s1
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| InChIKey |
FYKCIOAYMLTGHC-MDFGKDKASA-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