General Information of the Compound
| Compound ID |
CP0383655
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| Compound Name |
2-[2-[(2-chloro-4-methoxyphenyl)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 |
C23H29ClN4O5S
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| Molecular Weight |
509.028
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| Canonical SMILES |
COc1ccc(c(Cl)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1
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| InChI |
InChI=1S/C23H29ClN4O5S/c1-27(15-17-4-6-18(7-5-17)23-25-10-11-26-23)22(29)16-33-13-12-28(2)34(30,31)21-9-8-19(32-3)14-20(21)24/h4-9,14H,10-13,15-16H2,1-3H3,(H,25,26)
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| InChIKey |
OACALLNGRPICFL-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