General Information of the Compound
| Compound ID |
CP0538515
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-[(E)-prop-1-enyl]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 |
C27H24F2N4O4S2
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| Molecular Weight |
570.643
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| Canonical SMILES |
C\C=C\c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C27H24F2N4O4S2/c1-2-3-17-13-18(7-8-20(17)28)25-19(10-16-6-9-24(21(29)11-16)39(30,36)37)23(12-15-4-5-15)33(32-25)27-31-22(14-38-27)26(34)35/h2-3,6-9,11,13-15H,4-5,10,12H2,1H3,(H,34,35)(H2,30,36,37)/b3-2+
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| InChIKey |
AYXFVSAODMCRBM-NSCUHMNNSA-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