General Information of the Compound
| Compound ID |
CP0364192
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[3-[2-(5-cyclopropylthiophen-2-yl)ethynyl]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 |
C33H27FN4O4S3
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| Molecular Weight |
658.802
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)C#Cc2ccc(s2)C2CC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C33H27FN4O4S3/c34-26-16-21(7-13-30(26)45(35,41)42)15-25-28(17-20-4-5-20)38(33-36-27(18-43-33)32(39)40)37-31(25)23-3-1-2-19(14-23)6-10-24-11-12-29(44-24)22-8-9-22/h1-3,7,11-14,16,18,20,22H,4-5,8-9,15,17H2,(H,39,40)(H2,35,41,42)
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| InChIKey |
JEUPHUWQEREYNE-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