General Information of the Compound
| Compound ID |
CP0543634
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| Compound Name |
2-[3-[3-[2-(2-cyclopropylcyclopropyl)ethynyl]phenyl]-5-(2-cyclopropylethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C33H31FN4O4S2
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| Molecular Weight |
630.767
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CCC3CC3)n(nc2-c2cccc(c2)C#CC2CC2C2CC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C33H31FN4O4S2/c34-27-16-21(8-13-30(27)44(35,41)42)15-26-29(12-7-19-4-5-19)38(33-36-28(18-43-33)32(39)40)37-31(26)24-3-1-2-20(14-24)6-9-23-17-25(23)22-10-11-22/h1-3,8,13-14,16,18-19,22-23,25H,4-5,7,10-12,15,17H2,(H,39,40)(H2,35,41,42)
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| InChIKey |
UGMVSDXONCXIPY-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