General Information of the Compound
| Compound ID |
CP0466745
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| Compound Name |
(S or R)—N,N′-(13-oxo-3,6,9,17,20,23-hexaoxa-12,14-diazapentacosane-1,25-diyl)bis(4-((S or R)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide)
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| Structure |
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| Formula |
C49H64Cl4N6O11S2
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| Molecular Weight |
1119.028
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| Canonical SMILES |
CN1C[C@@H](c2ccc(cc2)S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(cc2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C49H64Cl4N6O11S2/c1-58-31-43(41-27-37(50)29-47(52)45(41)33-58)35-3-7-39(8-4-35)71(61,62)56-13-17-67-21-25-69-23-19-65-15-11-54-49(60)55-12-16-66-20-24-70-26-22-68-18-14-57-72(63,64)40-9-5-36(6-10-40)44-32-59(2)34-46-42(44)28-38(51)30-48(46)53/h3-10,27-30,43-44,56-57H,11-26,31-34H2,1-2H3,(H2,54,55,60)/t43-,44-/m0/s1
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| InChIKey |
VZESMUYYMRRNLE-CXNSMIOJSA-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