General Information of the Compound
| Compound ID |
CP0552530
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| Compound Name |
2-[3-[3-(cyclopentylmethoxy)phenyl]-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C26H26N4O5S2
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| Molecular Weight |
538.651
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H26N4O5S2/c27-37(33,34)22-10-8-17(9-11-22)12-20-14-30(26-28-23(16-36-26)25(31)32)29-24(20)19-6-3-7-21(13-19)35-15-18-4-1-2-5-18/h3,6-11,13-14,16,18H,1-2,4-5,12,15H2,(H,31,32)(H2,27,33,34)
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| InChIKey |
ATFSWFVAROMNIG-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