General Information of the Compound
| Compound ID |
CP0508710
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| Compound Name |
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
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| Structure |
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| Formula |
C22H26Cl2N4O4S
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| Molecular Weight |
513.447
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| Canonical SMILES |
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)19-5-3-4-18(23)21(19)24/h3-9H,10-15H2,1-2H3,(H,25,26)
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| InChIKey |
ZXODOJVNTVMCAY-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