General Information of the Compound
| Compound ID |
CP0551970
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| Compound Name |
5-[2-[4-(dimethylcarbamoyl)anilino]-4-methoxypyrimidin-5-yl]thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C19H18N4O4S
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| Molecular Weight |
398.444
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| Canonical SMILES |
COc1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1-c1ccc(s1)C(O)=O
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| InChI |
InChI=1S/C19H18N4O4S/c1-23(2)17(24)11-4-6-12(7-5-11)21-19-20-10-13(16(22-19)27-3)14-8-9-15(28-14)18(25)26/h4-10H,1-3H3,(H,25,26)(H,20,21,22)
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| InChIKey |
JOACCILDJWBJMR-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