General Information of the Compound
| Compound ID |
CP0547940
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| Compound Name |
2-[5-cyclopropyl-3-(3-phenylphenyl)-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H22N4O5S2
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| Molecular Weight |
558.641
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H22N4O5S2/c29-39(35,36)22-13-11-21(12-14-22)37-26-24(20-8-4-7-19(15-20)17-5-2-1-3-6-17)31-32(25(26)18-9-10-18)28-30-23(16-38-28)27(33)34/h1-8,11-16,18H,9-10H2,(H,33,34)(H2,29,35,36)
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| InChIKey |
HNLMQCAPDINMPI-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