General Information of the Compound
| Compound ID |
CP0961127
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| Compound Name |
N1,N3-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)benzene-1,3-disulfonamide
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| Structure |
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| Formula |
C54H68Cl4N6O14S4
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| Molecular Weight |
1295.246
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)c3)cc2)C1
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| InChI |
InChI=1S/C54H68Cl4N6O14S4/c1-63-35-49(47-30-41(55)32-53(57)51(47)37-63)39-6-10-43(11-7-39)79(65,66)59-14-18-73-22-26-77-28-24-75-20-16-61-81(69,70)45-4-3-5-46(34-45)82(71,72)62-17-21-76-25-29-78-27-23-74-19-15-60-80(67,68)44-12-8-40(9-13-44)50-36-64(2)38-52-48(50)31-42(56)33-54(52)58/h3-13,30-34,49-50,59-62H,14-29,35-38H2,1-2H3
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| InChIKey |
GUVUMHWMEKQATQ-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