General Information of the Compound
| Compound ID |
CP0573589
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(3- fluorophenoxy)phenyl)- 4-(3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid; ;
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| Structure |
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| Formula |
C30H23F3N4O5S2
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| Molecular Weight |
640.665
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H23F3N4O5S2/c31-19-2-1-3-20(14-19)42-26-13-18(7-8-22(26)32)28-21(10-17-6-9-27(23(33)11-17)44(34,40)41)25(12-16-4-5-16)37(36-28)30-35-24(15-43-30)29(38)39/h1-3,6-9,11,13-16H,4-5,10,12H2,(H,38,39)(H2,34,40,41)
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| InChIKey |
UACMDFRHXGCQKU-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