General Information of the Compound
| Compound ID |
CP0565863
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| Compound Name |
4-[2-(1H-Pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C25H24N2O4S
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| Molecular Weight |
448.544
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| Canonical SMILES |
Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1cc[nH]n1
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| InChI |
InChI=1S/C25H24N2O4S/c1-17-4-2-3-5-20(17)23(8-9-25(28)29)31-24-14-19(30-15-18-11-13-32-16-18)6-7-21(24)22-10-12-26-27-22/h2-7,10-14,16,23H,8-9,15H2,1H3,(H,26,27)(H,28,29)
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| InChIKey |
BSJOXPZITWSTQE-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