General Information of the Compound
| Compound ID |
CP0573164
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| Compound Name |
2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]acetic acid
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| Structure |
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| Formula |
C18H18Cl2N2O4S
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| Molecular Weight |
429.325
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCC(O)=O)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C18H18Cl2N2O4S/c1-22-9-15(14-6-12(19)7-17(20)16(14)10-22)11-3-2-4-13(5-11)27(25,26)21-8-18(23)24/h2-7,15,21H,8-10H2,1H3,(H,23,24)
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| InChIKey |
VFDKHTUJTYFRFG-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