General Information of the Compound
| Compound ID |
CP0530637
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| Compound Name |
5-[2-(3-Carboxy-1-o-tolyl-propoxy)-4-(thiophen-3-ylmethoxy)-phenyl]-2H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C26H24N2O6S
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| Molecular Weight |
492.553
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| Canonical SMILES |
Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1cc([nH]n1)C(O)=O
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| InChI |
InChI=1S/C26H24N2O6S/c1-16-4-2-3-5-19(16)23(8-9-25(29)30)34-24-12-18(33-14-17-10-11-35-15-17)6-7-20(24)21-13-22(26(31)32)28-27-21/h2-7,10-13,15,23H,8-9,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)
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| InChIKey |
RFRUKNFJQPSBDV-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