General Information of the Compound
| Compound ID |
CP0413938
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| Compound Name |
2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)anilino]-2-oxoacetic acid
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| Structure |
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| Formula |
C17H16N2O5S
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| Molecular Weight |
360.391
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| Canonical SMILES |
OC(=O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C17H16N2O5S/c20-16(17(21)22)18-14-6-3-7-15(10-14)25(23,24)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20)(H,21,22)
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| InChIKey |
WXTOAQMIJQFVOQ-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