General Information of the Compound
| Compound ID |
CP0253023
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-(3-prop-1-ynylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C27H23FN4O4S2
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| Molecular Weight |
550.637
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| Canonical SMILES |
CC#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/C27H23FN4O4S2/c1-2-4-16-5-3-6-19(11-16)25-20(12-18-9-10-24(21(28)13-18)38(29,35)36)23(14-17-7-8-17)32(31-25)27-30-22(15-37-27)26(33)34/h3,5-6,9-11,13,15,17H,7-8,12,14H2,1H3,(H,33,34)(H2,29,35,36)
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| InChIKey |
FVUXILPOWJJNJH-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