General Information of the Compound
| Compound ID |
CP0538516
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| Compound Name |
2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoylbenzyl)- 3-(3-((5-methylthiazol-2- yl)ethynyl)phenyl)-1H-pyrazol- 1-yl)thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C31H26FN5O4S3
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| Molecular Weight |
647.779
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| Canonical SMILES |
Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C31H26FN5O4S3/c1-18-16-34-28(43-18)12-9-20-3-2-4-22(13-20)29-23(14-21-8-11-27(24(32)15-21)44(33,40)41)26(10-7-19-5-6-19)37(36-29)31-35-25(17-42-31)30(38)39/h2-4,8,11,13,15-17,19H,5-7,10,14H2,1H3,(H,38,39)(H2,33,40,41)
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| InChIKey |
BHYQQSWOTBOXFE-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