General Information of the Compound
| Compound ID |
CP0571697
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| Compound Name |
N1,N4-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)terephthalamide
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| Structure |
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| Formula |
C56H68Cl4N6O12S2
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| Molecular Weight |
1223.136
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)c2ccc(cc2)C(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C56H68Cl4N6O12S2/c1-65-35-49(47-31-43(57)33-53(59)51(47)37-65)41-5-3-7-45(29-41)79(69,70)63-15-19-75-23-27-77-25-21-73-17-13-61-55(67)39-9-11-40(12-10-39)56(68)62-14-18-74-22-26-78-28-24-76-20-16-64-80(71,72)46-8-4-6-42(30-46)50-36-66(2)38-52-48(50)32-44(58)34-54(52)60/h3-12,29-34,49-50,63-64H,13-28,35-38H2,1-2H3,(H,61,67)(H,62,68)
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| InChIKey |
NMZATJZWHZOUID-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