General Information of the Compound
| Compound ID |
CP0899489
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| Compound Name |
N1,N4-bis(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethyl)-2,3-dihydroxysuccinamide
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| Structure |
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| Formula |
C44H52Cl4N6O10S2
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| Molecular Weight |
1030.878
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C44H52Cl4N6O10S2/c1-53-23-35(33-19-29(45)21-39(47)37(33)25-53)27-5-3-7-31(17-27)65(59,60)51-11-15-63-13-9-49-43(57)41(55)42(56)44(58)50-10-14-64-16-12-52-66(61,62)32-8-4-6-28(18-32)36-24-54(2)26-38-34(36)20-30(46)22-40(38)48/h3-8,17-22,35-36,41-42,51-52,55-56H,9-16,23-26H2,1-2H3,(H,49,57)(H,50,58)
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| InChIKey |
GQYVSHAUWGIIFU-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