General Information of the Compound
| Compound ID |
CP0866030
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| Compound Name |
4-Fluoro-N-(1,2,3,4-tetrahydro-1-isoquinolinylmethyl)benzamide
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| Structure |
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| Formula |
C17H17FN2O
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| Molecular Weight |
284.334
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| Canonical SMILES |
O=C(NCC1NCCc2ccccc21)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H17FN2O/c18-14-7-5-13(6-8-14)17(21)20-11-16-15-4-2-1-3-12(15)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21)
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| InChIKey |
UQVAOHINBTXNOE-UHFFFAOYSA-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