General Information of the Compound
| Compound ID |
CP0117566
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| Compound Name |
1-methyl-4-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1H-pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C25H24N2O4
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| Molecular Weight |
416.477
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(Cc2cn(C)cc2C(O)=O)c1)-c1ccccc1
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| InChI |
InChI=1S/C25H24N2O4/c1-17-23(26-24(31-17)19-8-4-3-5-9-19)11-12-30-21-10-6-7-18(14-21)13-20-15-27(2)16-22(20)25(28)29/h3-10,14-16H,11-13H2,1-2H3,(H,28,29)
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| InChIKey |
JHSHSRHLYPKZBG-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