General Information of the Compound
| Compound ID |
CP0429746
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| Compound Name |
(1S,9R,16S)-17-methyl-16-(2-methylpropyl)-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 |
C21H25N
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| Molecular Weight |
291.438
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| Canonical SMILES |
CC(C)C[C@H]1[C@H]2c3ccccc3C[C@@H](N1C)c1ccccc21
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| InChI |
InChI=1S/C21H25N/c1-14(2)12-20-21-16-9-5-4-8-15(16)13-19(22(20)3)17-10-6-7-11-18(17)21/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/s1
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| InChIKey |
DFHJAXSWKTWVHE-HKBOAZHASA-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