General Information of the Compound
| Compound ID |
CP0538514
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[3-[2-(3,5-dimethylthiophen-2-yl)ethynyl]phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]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 |
Cc1cc(C)c(s1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C32H27FN4O4S3/c1-18-12-19(2)43-28(18)10-8-20-4-3-5-23(13-20)30-24(14-22-9-11-29(25(33)15-22)44(34,40)41)27(16-21-6-7-21)37(36-30)32-35-26(17-42-32)31(38)39/h3-5,9,11-13,15,17,21H,6-7,14,16H2,1-2H3,(H,38,39)(H2,34,40,41)
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| InChIKey |
OKHHETWNMVDAIU-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