General Information of the Compound
| Compound ID |
CP0550352
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-(4-fluorophenoxy)phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C30H23F3N4O5S2
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| Molecular Weight |
640.665
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccc(F)cc3)c2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C30H23F3N4O5S2/c31-19-5-7-20(8-6-19)42-26-14-18(4-9-22(26)32)28-21(11-17-3-10-27(23(33)12-17)44(34,40)41)25(13-16-1-2-16)37(36-28)30-35-24(15-43-30)29(38)39/h3-10,12,14-16H,1-2,11,13H2,(H,38,39)(H2,34,40,41)
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| InChIKey |
QPNBKZKOFCMXFL-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