General Information of the Compound
| Compound ID |
CP0480328
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| Compound Name |
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H24N2O3S
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| Molecular Weight |
420.534
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| Canonical SMILES |
Cc1ccc(cc1)N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H24N2O3S/c1-19-11-13-22(14-12-19)26(30(28,29)23-9-3-2-4-10-23)18-24(27)25-16-15-20-7-5-6-8-21(20)17-25/h2-14H,15-18H2,1H3
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| InChIKey |
FLNMCYWWHVDYIM-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor