General Information of the Compound
| Compound ID |
CP0346443
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| Compound Name |
4-({5-bromo-4-[(4-methoxyphenyl)amino]pyrimidin-2-yl}amino)benzoic acid
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| Structure |
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| Formula |
C18H15BrN4O3
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| Molecular Weight |
415.247
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| Canonical SMILES |
COc1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)ncc2Br)cc1
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| InChI |
InChI=1S/C18H15BrN4O3/c1-26-14-8-6-12(7-9-14)21-16-15(19)10-20-18(23-16)22-13-4-2-11(3-5-13)17(24)25/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)
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| InChIKey |
YMPWYIHAVYUJEK-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