General Information of the Compound
| Compound ID |
CP0562997
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| Compound Name |
2,2′-oxybis(N-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)acetamide)
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| Structure |
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| Formula |
C48H60Cl4N6O11S2
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| Molecular Weight |
1102.985
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)COCC(=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/C48H60Cl4N6O11S2/c1-57-27-41(39-23-35(49)25-45(51)43(39)29-57)33-5-3-7-37(21-33)70(61,62)55-11-15-67-19-17-65-13-9-53-47(59)31-69-32-48(60)54-10-14-66-18-20-68-16-12-56-71(63,64)38-8-4-6-34(22-38)42-28-58(2)30-44-40(42)24-36(50)26-46(44)52/h3-8,21-26,41-42,55-56H,9-20,27-32H2,1-2H3,(H,53,59)(H,54,60)
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| InChIKey |
UQWBSVPMYCBVAF-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