General Information of the Compound
| Compound ID |
CP0552995
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyloxy)phenyl)-4- (3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid;
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| Structure |
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| Formula |
C31H26F2N4O5S2
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| Molecular Weight |
636.702
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| Canonical SMILES |
Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)
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| InChIKey |
ALDKACGJYHWHBX-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