General Information of the Compound
| Compound ID |
CP0957890
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| Compound Name |
2,2'-oxybis(N-(2-(2-(2-(4-((S/R)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)acetamide)bis-hydrochloride salt
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| Structure |
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| Formula |
C48H62Cl6N6O11S2
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| Molecular Weight |
1175.907
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNS(=O)(=O)c3ccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.Cl.Cl
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| InChI |
InChI=1S/C48H60Cl4N6O11S2.2ClH/c1-57-27-41(39-23-35(49)25-45(51)43(39)29-57)33-3-7-37(8-4-33)70(61,62)55-13-17-67-21-19-65-15-11-53-47(59)31-69-32-48(60)54-12-16-66-20-22-68-18-14-56-71(63,64)38-9-5-34(6-10-38)42-28-58(2)30-44-40(42)24-36(50)26-46(44)52;;/h3-10,23-26,41-42,55-56H,11-22,27-32H2,1-2H3,(H,53,59)(H,54,60);2*1H/t41-,42-;;/m0../s1
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| InChIKey |
XUEXCYRCKIXXBB-ZLIAPTQLSA-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