General Information of the Compound
| Compound ID |
CP0547641
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| Compound Name |
2-(5-(2-cyclopropylethyl)- 3-(3-((5-cyclopropylthiophen- 2-yl)ethynyl)phenyl)-4-(3- fluoro-4-sulfamoylbenzyl)-1H- pyrazol-1-yl)thiazole- 4-carboxylic acid
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| Structure |
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| Formula |
C34H29FN4O4S3
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| Molecular Weight |
672.829
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CCC3CC3)n(nc2-c2cccc(c2)C#Cc2ccc(s2)C2CC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C34H29FN4O4S3/c35-27-18-22(8-15-31(27)46(36,42)43)17-26-29(13-7-20-4-5-20)39(34-37-28(19-44-34)33(40)41)38-32(26)24-3-1-2-21(16-24)6-11-25-12-14-30(45-25)23-9-10-23/h1-3,8,12,14-16,18-20,23H,4-5,7,9-10,13,17H2,(H,40,41)(H2,36,42,43)
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| InChIKey |
WNXURRQSPOLYHS-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
Protein ID: PT02629, L-lactate dehydrogenase A chain