General Information of the Compound
| Compound ID |
CP0555059
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| Compound Name |
4-[2-[[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]phenoxy]butanoic acid
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| Structure |
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| Formula |
C25H28N4O6
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| Molecular Weight |
480.521
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| Canonical SMILES |
CCOC(=O)c1c(C)nn(c1C)-c1ccc(NC(=O)Nc2ccccc2OCCCC(O)=O)cc1
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| InChI |
InChI=1S/C25H28N4O6/c1-4-34-24(32)23-16(2)28-29(17(23)3)19-13-11-18(12-14-19)26-25(33)27-20-8-5-6-9-21(20)35-15-7-10-22(30)31/h5-6,8-9,11-14H,4,7,10,15H2,1-3H3,(H,30,31)(H2,26,27,33)
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| InChIKey |
LFEWYQFVCZSKMH-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