General Information of the Compound
| Compound ID |
CP0572302
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| Compound Name |
3-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]propane-1-sulfonic acid
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| Structure |
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| Formula |
C19H22Cl2N2O5S2
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| Molecular Weight |
493.434
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCCS(O)(=O)=O)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C19H22Cl2N2O5S2/c1-23-11-17(16-9-14(20)10-19(21)18(16)12-23)13-4-2-5-15(8-13)30(27,28)22-6-3-7-29(24,25)26/h2,4-5,8-10,17,22H,3,6-7,11-12H2,1H3,(H,24,25,26)
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| InChIKey |
XBASOQVZUDOLDO-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: PT04309, Sodium/hydrogen exchanger 3
Protein ID: PT03762, Sodium/hydrogen exchanger 3