General Information of the Compound
| Compound ID |
CP0483743
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| Compound Name |
4-[2-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoylamino]-4-methylphenoxy]butanoic acid
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| Structure |
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| Formula |
C26H30N4O5
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| Molecular Weight |
478.549
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)Nc2cc(C)ccc2OCCCC(O)=O)cc1
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| InChI |
InChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34)
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| InChIKey |
UGZSBJYXIDPTIF-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