General Information of the Compound
| Compound ID |
CP0659774
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| Compound Name |
Tramadol
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| Structure |
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| Formula |
C16H25NO2
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| Molecular Weight |
263.381
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| Canonical SMILES |
COc1cccc(C2(O)CCCCC2CN(C)C)c1
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| InChI |
InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
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| InChIKey |
TVYLLZQTGLZFBW-UHFFFAOYSA-N
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| CAS |
123134-25-8
46941-76-8
123154-38-1
46941-74-6
2914-77-4
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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: PT03795, Solute carrier family 22 member 1