General Information of the Compound
| Compound ID |
CP0484666
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| Compound Name |
2-[5-(2-cyclopropylethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C32H27FN4O4S3
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| Molecular Weight |
646.791
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| Canonical SMILES |
Cc1ccc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C32H27FN4O4S3/c1-19-5-11-24(43-19)12-8-21-3-2-4-23(15-21)30-25(16-22-10-14-29(26(33)17-22)44(34,40)41)28(13-9-20-6-7-20)37(36-30)32-35-27(18-42-32)31(38)39/h2-5,10-11,14-15,17-18,20H,6-7,9,13,16H2,1H3,(H,38,39)(H2,34,40,41)
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| InChIKey |
LBOHZVFKDXCHAX-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