General Information of the Compound
| Compound ID |
CP0423387
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| Compound Name |
Nucynta
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| Structure |
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| Formula |
C14H23NO
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| Molecular Weight |
221.344
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| Canonical SMILES |
CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1
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| InChI |
InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
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| InChIKey |
KWTWDQCKEHXFFR-SMDDNHRTSA-N
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| CAS |
175591-23-8
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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: PT01515, Mu-type opioid receptor
Protein ID: PT03795, Solute carrier family 22 member 1