General Information of the Compound
| Compound ID |
CP0553356
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| Compound Name |
2-[3-[3-(2-cyanoethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C27H19F2N5O4S2
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| Molecular Weight |
579.61
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC#N)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C27H19F2N5O4S2/c28-20-7-6-18(13-17(20)2-1-9-30)25-19(10-16-5-8-24(21(29)11-16)40(31,37)38)23(12-15-3-4-15)34(33-25)27-32-22(14-39-27)26(35)36/h5-8,11,13-15H,3-4,10,12H2,(H,35,36)(H2,31,37,38)
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| InChIKey |
PGZYKDIEORGYJV-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