General Information of the Compound
| Compound ID |
CP0543608
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| Compound Name |
2-[3-[3-[2-(5-tert-butylthiophen-2-yl)ethynyl]-4-fluorophenyl]-5-(cyclopropylmethyl)-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 |
C34H30F2N4O4S3
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| Molecular Weight |
692.835
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| Canonical SMILES |
CC(C)(C)c1ccc(s1)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/C34H30F2N4O4S3/c1-34(2,3)30-13-10-23(46-30)9-7-21-17-22(8-11-25(21)35)31-24(14-20-6-12-29(26(36)15-20)47(37,43)44)28(16-19-4-5-19)40(39-31)33-38-27(18-45-33)32(41)42/h6,8,10-13,15,17-19H,4-5,14,16H2,1-3H3,(H,41,42)(H2,37,43,44)
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| InChIKey |
OUVZWDKJHZAZJK-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