General Information of the Compound
| Compound ID |
CP0365471
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| Compound Name |
2-(5-(2-cyclopropylethyl)-3- (3-((2,5-dimethylthiophen-3- 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 |
C33H29FN4O4S3
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| Molecular Weight |
660.818
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| Canonical SMILES |
Cc1cc(C#Cc2cccc(c2)-c2nn(c(CCC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c(C)s1
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| InChI |
InChI=1S/C33H29FN4O4S3/c1-19-14-24(20(2)44-19)11-8-22-4-3-5-25(15-22)31-26(16-23-10-13-30(27(34)17-23)45(35,41)42)29(12-9-21-6-7-21)38(37-31)33-36-28(18-43-33)32(39)40/h3-5,10,13-15,17-18,21H,6-7,9,12,16H2,1-2H3,(H,39,40)(H2,35,41,42)
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| InChIKey |
PWOYJWWMFLHBKQ-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