General Information of the Compound
| Compound ID |
CP0564688
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| Compound Name |
3-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
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| Formula |
C25H17F3N2O5
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| Molecular Weight |
482.414
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| Canonical SMILES |
OCc1cc(no1)-c1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C(O)=O
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| InChI |
InChI=1S/C25H17F3N2O5/c26-25(27,28)19-7-5-16(6-8-19)23(32)29-20-10-17(9-18(11-20)24(33)34)14-1-3-15(4-2-14)22-12-21(13-31)35-30-22/h1-12,31H,13H2,(H,29,32)(H,33,34)
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| InChIKey |
KPGKDWNZWLQGDX-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