General Information of the Compound
| Compound ID |
CP0561493
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-2-(1H-imidazol-5-yl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C26H29ClN4O4S
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| Molecular Weight |
529.062
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1c[nH]cn1
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| InChI |
InChI=1S/C26H29ClN4O4S/c1-3-12-30-36(33,34)24-8-5-20(6-9-24)11-13-31(26(32)16-23-17-28-19-29-23)18-21-15-22(27)7-10-25(21)35-14-4-2/h1,5-10,15,17,19,30H,4,11-14,16,18H2,2H3,(H,28,29)
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| InChIKey |
QVTUSAVLFCETLP-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