General Information of the Compound
| Compound ID |
CP0445476
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| Compound Name |
N1,N3-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)-2,2-dimethylmalonamide
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| Structure |
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| Formula |
C49H62Cl4N6O10S2
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| Molecular Weight |
1101.013
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)C(C)(C)C(=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/C49H62Cl4N6O10S2/c1-49(2,47(60)54-11-15-66-19-21-68-17-13-56-70(62,63)37-9-5-7-33(23-37)41-29-58(3)31-43-39(41)25-35(50)27-45(43)52)48(61)55-12-16-67-20-22-69-18-14-57-71(64,65)38-10-6-8-34(24-38)42-30-59(4)32-44-40(42)26-36(51)28-46(44)53/h5-10,23-28,41-42,56-57H,11-22,29-32H2,1-4H3,(H,54,60)(H,55,61)
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| InChIKey |
BFOGCZFQXSLNRQ-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