General Information of the Compound
| Compound ID |
CP0550437
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| Compound Name |
4-[2-[4-(dimethylcarbamoyl)anilino]pyrimidin-5-yl]benzoic acid
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| Structure |
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| Formula |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Nc2ncc(cn2)-c2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C20H18N4O3/c1-24(2)18(25)14-7-9-17(10-8-14)23-20-21-11-16(12-22-20)13-3-5-15(6-4-13)19(26)27/h3-12H,1-2H3,(H,26,27)(H,21,22,23)
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| InChIKey |
FEAGVHOLSFWNHN-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