General Information of the Compound
| Compound ID |
CP0362414
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[4-fluoro-3-(3,3,3-trifluoroprop-1-ynyl)phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H19F5N4O4S2
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| Molecular Weight |
622.597
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C27H19F5N4O4S2/c28-19-5-4-17(12-16(19)7-8-27(30,31)32)24-18(9-15-3-6-23(20(29)10-15)42(33,39)40)22(11-14-1-2-14)36(35-24)26-34-21(13-41-26)25(37)38/h3-6,10,12-14H,1-2,9,11H2,(H,37,38)(H2,33,39,40)
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| InChIKey |
IICYCHRTTDVKMF-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