General Information of the Compound
| Compound ID |
CP0487439
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| Compound Name |
2-[5-(2-cyclopropylethyl)-3-[3-(3-cyclopropyl-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 |
C33H33FN4O4S2
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| Molecular Weight |
632.783
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| Canonical SMILES |
CC(C)(C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O)C1CC1
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| InChI |
InChI=1S/C33H33FN4O4S2/c1-33(2,24-10-11-24)15-14-21-4-3-5-23(16-21)30-25(17-22-9-13-29(26(34)18-22)44(35,41)42)28(12-8-20-6-7-20)38(37-30)32-36-27(19-43-32)31(39)40/h3-5,9,13,16,18-20,24H,6-8,10-12,17H2,1-2H3,(H,39,40)(H2,35,41,42)
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| InChIKey |
IWNUFUXIRNVXPN-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