General Information of the Compound
| Compound ID |
CP0364208
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C27H22F4N4O4S2
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| Molecular Weight |
606.623
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)C(=C)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C27H22F4N4O4S2/c1-14(27(29,30)31)17-3-2-4-18(12-17)24-19(9-16-7-8-23(20(28)10-16)41(32,38)39)22(11-15-5-6-15)35(34-24)26-33-21(13-40-26)25(36)37/h2-4,7-8,10,12-13,15H,1,5-6,9,11H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
FRJSJPOSLMFTNP-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