General Information of the Compound
| Compound ID |
CP0717802
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| Compound Name |
N-(2-((4-Chlorobenzyl)(tert-butyl)amino)ethyl)-2-tosyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C30H36ClN3O3S
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| Molecular Weight |
554.156
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Cl)cc4)C(C)(C)C)ccc3C2)cc1
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| InChI |
InChI=1S/C30H36ClN3O3S/c1-22-5-13-28(14-6-22)38(36,37)34-17-15-24-19-25(9-10-26(24)21-34)29(35)32-16-18-33(30(2,3)4)20-23-7-11-27(31)12-8-23/h5-14,19H,15-18,20-21H2,1-4H3,(H,32,35)
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| InChIKey |
TUEDGBXWMGGZLJ-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: PT01460, Kappa-type opioid receptor