General Information of the Compound
| Compound ID |
CP0410442
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| Compound Name |
3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid
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| Structure |
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| Formula |
C18H19NO6S
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| Molecular Weight |
377.418
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C18H19NO6S/c1-24-16-9-12-6-7-19(11-14(12)10-17(16)25-2)26(22,23)15-5-3-4-13(8-15)18(20)21/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,21)
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| InChIKey |
SVZVMJLYVBNRKX-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