General Information of the Compound
| Compound ID |
CP0258269
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-(3-methylbut-1-ynyl)phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C29H26F2N4O4S2
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| Molecular Weight |
596.681
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| Canonical SMILES |
CC(C)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C29H26F2N4O4S2/c1-16(2)3-7-19-14-20(8-9-22(19)30)27-21(11-18-6-10-26(23(31)12-18)41(32,38)39)25(13-17-4-5-17)35(34-27)29-33-24(15-40-29)28(36)37/h6,8-10,12,14-17H,4-5,11,13H2,1-2H3,(H,36,37)(H2,32,38,39)
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| InChIKey |
XCOKUKCAEQNPST-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