General Information of the Compound
| Compound ID |
CP0957844
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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 |
CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)c3ccc(C(=O)NCCOCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)cc2)C1
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| InChI |
InChI=1S/C56H68Cl4N6O12S2/c1-65-35-49(47-31-43(57)33-53(59)51(47)37-65)39-10-12-45(13-11-39)79(69,70)63-16-20-75-24-28-77-26-22-73-18-14-61-55(67)40-6-8-41(9-7-40)56(68)62-15-19-74-23-27-78-29-25-76-21-17-64-80(71,72)46-5-3-4-42(30-46)50-36-66(2)38-52-48(50)32-44(58)34-54(52)60/h3-13,30-34,49-50,63-64H,14-29,35-38H2,1-2H3,(H,61,67)(H,62,68)
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| InChIKey |
YCBPTDPAYXGQMJ-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