General Information of the Compound
| Compound ID |
CP0074476
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| Compound Name |
4-[2-(3-phenylanilino)pyrimidin-4-yl]benzamide
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| Structure |
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| Formula |
C23H18N4O
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| Molecular Weight |
366.424
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1
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| InChI |
InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27)
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| InChIKey |
SEYKIIXYLAWBHP-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