General Information of the Compound
| Compound ID |
CP0247038
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| Compound Name |
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide
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| Structure |
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| Formula |
C25H21N5O2
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| Molecular Weight |
423.476
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(NC(=O)c3ccccc3)c2)n1
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| InChI |
InChI=1S/C25H21N5O2/c1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30)
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| InChIKey |
VQAONYKIVYSXJJ-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