General Information of the Compound
| Compound ID |
CP0363020
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((4- fluorobenzyl)oxy)phenyl)- 4-(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 |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(F)cc3)c2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C31H26F2N4O5S2/c32-22-8-3-20(4-9-22)16-42-28-15-21(7-12-25(28)33)29-24(13-18-5-10-23(11-6-18)44(34,40)41)27(14-19-1-2-19)37(36-29)31-35-26(17-43-31)30(38)39/h3-12,15,17,19H,1-2,13-14,16H2,(H,38,39)(H2,34,40,41)
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| InChIKey |
LSAWXOPJUIGHNG-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