General Information of the Compound
| Compound ID |
CP0362413
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-[3-fluoro-3-(oxetan-3-yl)prop-1-ynyl]phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C30H25F3N4O5S2
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| Molecular Weight |
642.681
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2COC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H25F3N4O5S2/c31-22-7-5-19(12-18(22)4-6-23(32)20-13-42-14-20)28-21(9-17-3-8-27(24(33)10-17)44(34,40)41)26(11-16-1-2-16)37(36-28)30-35-25(15-43-30)29(38)39/h3,5,7-8,10,12,15-16,20,23H,1-2,9,11,13-14H2,(H,38,39)(H2,34,40,41)
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| InChIKey |
JUIBQOCVRBTFGW-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