General Information of the Compound
| Compound ID |
CP0074479
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| Compound Name |
4-[2-(3-phenylanilino)pyrimidin-4-yl]benzoic acid
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| Structure |
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| Formula |
C23H17N3O2
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| Molecular Weight |
367.408
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1
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| InChI |
InChI=1S/C23H17N3O2/c27-22(28)18-11-9-17(10-12-18)21-13-14-24-23(26-21)25-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,24,25,26)
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| InChIKey |
UHSGKZKFUUFRPH-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