General Information of the Compound
| Compound ID |
CP0544780
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| Compound Name |
2-[2-[(3-chloro-2-methylphenyl)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 |
C23H29ClN4O4S
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| Molecular Weight |
493.029
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| Canonical SMILES |
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1C
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| InChI |
InChI=1S/C23H29ClN4O4S/c1-17-20(24)5-4-6-21(17)33(30,31)28(3)13-14-32-16-22(29)27(2)15-18-7-9-19(10-8-18)23-25-11-12-26-23/h4-10H,11-16H2,1-3H3,(H,25,26)
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| InChIKey |
BJXJGKMGPWSYEX-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