General Information of the Compound
| Compound ID |
CP0463269
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| Compound Name |
3-(dimethylamino)-N-[4-methyl-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]benzamide
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| Structure |
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| Formula |
C26H24N8O
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| Molecular Weight |
464.533
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| Canonical SMILES |
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1
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| InChI |
InChI=1S/C26H24N8O/c1-16-9-10-18(32-26(35)17-6-4-7-19(12-17)34(2)3)13-21(16)33-24-20(8-5-11-27-24)22-23-25(30-14-28-22)31-15-29-23/h4-15H,1-3H3,(H,27,33)(H,32,35)(H,28,29,30,31)
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| InChIKey |
UHZCQUJTKLRWKF-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