General Information of the Compound
| Compound ID |
CP0544219
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- (pyrrolidine-1- carbonyl)phenyl)-4- (3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid
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| Structure |
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| Formula |
C29H27F2N5O5S2
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| Molecular Weight |
627.695
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCCC2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C29H27F2N5O5S2/c30-21-7-6-18(14-19(21)27(37)35-9-1-2-10-35)26-20(11-17-5-8-25(22(31)12-17)43(32,40)41)24(13-16-3-4-16)36(34-26)29-33-23(15-42-29)28(38)39/h5-8,12,14-16H,1-4,9-11,13H2,(H,38,39)(H2,32,40,41)
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| InChIKey |
DRKIXPJVJMUXDS-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