General Information of the Compound
| Compound ID |
CP0565542
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| Compound Name |
N1,N4-bis(2-(2-(2-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)terephthalamide
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| Structure |
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| Formula |
C52H60Cl4N6O10S2
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| Molecular Weight |
1135.03
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| Canonical SMILES |
CN1CC(c2ccc(cc2)S(=O)(=O)NCCOCCOCCNC(=O)c2ccc(cc2)C(=O)NCCOCCOCCNS(=O)(=O)c2ccc(cc2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C52H60Cl4N6O10S2/c1-61-31-45(43-27-39(53)29-49(55)47(43)33-61)35-7-11-41(12-8-35)73(65,66)59-17-21-71-25-23-69-19-15-57-51(63)37-3-5-38(6-4-37)52(64)58-16-20-70-24-26-72-22-18-60-74(67,68)42-13-9-36(10-14-42)46-32-62(2)34-48-44(46)28-40(54)30-50(48)56/h3-14,27-30,45-46,59-60H,15-26,31-34H2,1-2H3,(H,57,63)(H,58,64)
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| InChIKey |
ATGXRRRNBUEJRN-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