General Information of the Compound
| Compound ID |
CP0556919
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| Compound Name |
(2R,3R)—N1,N4-bis(2-(2-(2-(4-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide
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| Structure |
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| Formula |
C48H60Cl4N6O12S2
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| Molecular Weight |
1118.984
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| Canonical SMILES |
CN1CC(c2ccc(cc2)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](O)[C@@H](O)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/C48H60Cl4N6O12S2/c1-57-27-39(37-23-33(49)25-43(51)41(37)29-57)31-3-7-35(8-4-31)71(63,64)55-13-17-69-21-19-67-15-11-53-47(61)45(59)46(60)48(62)54-12-16-68-20-22-70-18-14-56-72(65,66)36-9-5-32(6-10-36)40-28-58(2)30-42-38(40)24-34(50)26-44(42)52/h3-10,23-26,39-40,45-46,55-56,59-60H,11-22,27-30H2,1-2H3,(H,53,61)(H,54,62)/t39?,40?,45-,46-/m1/s1
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| InChIKey |
ALMVJCXGEFLRBW-OUWJEIDNSA-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