General Information of the Compound
| Compound ID |
CP0569833
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C28H28FN5O5S2
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| Molecular Weight |
597.694
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C28H28FN5O5S2/c29-22-13-18(6-7-25(22)41(30,37)38)12-21-24(14-17-4-5-17)34(28-31-23(16-40-28)27(35)36)32-26(21)19-2-1-3-20(15-19)33-8-10-39-11-9-33/h1-3,6-7,13,15-17H,4-5,8-12,14H2,(H,35,36)(H2,30,37,38)
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| InChIKey |
WYFIHMKPTDEJID-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