General Information of the Compound
| Compound ID |
CP0893658
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| Compound Name |
3,4-Dichloro-N-(1,2,3,4-tetrahydro-1-isoquinolinylmethyl)benzamide
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| Structure |
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| Formula |
C17H16Cl2N2O
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| Molecular Weight |
335.234
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| Canonical SMILES |
O=C(NCC1NCCc2ccccc21)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H16Cl2N2O/c18-14-6-5-12(9-15(14)19)17(22)21-10-16-13-4-2-1-3-11(13)7-8-20-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
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| InChIKey |
QOBIYGABRBAJNZ-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor