General Information of the Compound
| Compound ID |
CP0573234
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| Compound Name |
N-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethyl]-3-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethylamino]-2,3-dihydroxypropanamide
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| Structure |
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| Formula |
C43H52Cl4N6O9S2
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| Molecular Weight |
1002.868
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCNC(O)C(O)C(=O)NCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C43H52Cl4N6O9S2/c1-52-23-35(33-19-29(44)21-39(46)37(33)25-52)27-5-3-7-31(17-27)63(57,58)50-11-15-61-13-9-48-42(55)41(54)43(56)49-10-14-62-16-12-51-64(59,60)32-8-4-6-28(18-32)36-24-53(2)26-38-34(36)20-30(45)22-40(38)47/h3-8,17-22,35-36,41-42,48,50-51,54-55H,9-16,23-26H2,1-2H3,(H,49,56)
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| InChIKey |
GVXPHYRSXOCUEY-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: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3