General Information of the Compound
| Compound ID |
CP0572956
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| Compound Name |
N,N′-(10-oxo-3,6,14,17-tetraoxa-9,11-diazanonadecane-1,19-diyl)bis(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide)
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| Structure |
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| Formula |
C45H56Cl4N6O9S2
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| Molecular Weight |
1030.922
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C45H56Cl4N6O9S2/c1-54-27-39(37-23-33(46)25-43(48)41(37)29-54)31-5-3-7-35(21-31)65(57,58)52-11-15-63-19-17-61-13-9-50-45(56)51-10-14-62-18-20-64-16-12-53-66(59,60)36-8-4-6-32(22-36)40-28-55(2)30-42-38(40)24-34(47)26-44(42)49/h3-8,21-26,39-40,52-53H,9-20,27-30H2,1-2H3,(H2,50,51,56)
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| InChIKey |
QZDBZWJIQUUFBJ-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