General Information of the Compound
| Compound ID |
CP0440968
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| Compound Name |
(1S,9R,16S)-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
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| Structure |
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| Formula |
C18H19N
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| Molecular Weight |
249.357
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| Canonical SMILES |
C[C@H]1[C@H]2c3ccccc3C[C@@H](N1C)c1ccccc21
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| InChI |
InChI=1S/C18H19N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-10,12,17-18H,11H2,1-2H3/t12-,17+,18-/m0/s1
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| InChIKey |
GSOKUGXLPOWMGZ-RZAIGCCYSA-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