General Information of the Compound
| Compound ID |
CP0958993
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| Compound Name |
3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(2-(2-(2-(2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)benzene sulfonamide
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| Structure |
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| Formula |
C33H44Cl2N8O7S
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| Molecular Weight |
767.737
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| Canonical SMILES |
COCCn1cc(COCc2cn(CCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)nn2)nn1
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| InChI |
InChI=1S/C33H44Cl2N8O7S/c1-41-21-31(30-17-26(34)18-33(35)32(30)22-41)25-4-3-5-29(16-25)51(44,45)36-6-9-47-12-14-49-15-13-48-11-8-43-20-28(38-40-43)24-50-23-27-19-42(39-37-27)7-10-46-2/h3-5,16-20,31,36H,6-15,21-24H2,1-2H3
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| InChIKey |
AKVYWNXKTASVTB-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