General Information of the Compound
| Compound ID |
CP0460795
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| Compound Name |
4-[2-Pyridin-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C27H25NO4S
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| Molecular Weight |
459.567
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| Canonical SMILES |
Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1-c1ccccn1
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| InChI |
InChI=1S/C27H25NO4S/c1-19-6-2-3-7-22(19)25(11-12-27(29)30)32-26-16-21(31-17-20-13-15-33-18-20)9-10-23(26)24-8-4-5-14-28-24/h2-10,13-16,18,25H,11-12,17H2,1H3,(H,29,30)
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| InChIKey |
BRFPHZRJHAJJMA-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