General Information of the Compound
| Compound ID |
CP0546393
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (trifluoromethyl)furan- 2- yl)methoxy)phenyl)- 4-(3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid; MS (ES) 694.9 (M + H)+,
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| Structure |
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| Formula |
C30H23F5N4O6S2
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| Molecular Weight |
694.66
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)
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| InChIKey |
HRFAOGWACFGECG-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