General Information of the Compound
| Compound ID |
CP0550353
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| Compound Name |
2-(5-(cyclopropylmethyl)- 3-(4-fluoro-3-(2- oxopyrrolidin-1-yl) phenyl)-4-(3-fluoro-4- sulfamoylbenzyl)-1H- pyrazol-1-yl)thiazole-4- carboxylic acid
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| Structure |
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| Formula |
C28H25F2N5O5S2
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| Molecular Weight |
613.668
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)N2CCCC2=O)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C28H25F2N5O5S2/c29-19-7-6-17(13-23(19)34-9-1-2-25(34)36)26-18(10-16-5-8-24(20(30)11-16)42(31,39)40)22(12-15-3-4-15)35(33-26)28-32-21(14-41-28)27(37)38/h5-8,11,13-15H,1-4,9-10,12H2,(H,37,38)(H2,31,39,40)
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| InChIKey |
MWLSQYWAMNFBDY-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