General Information of the Compound
| Compound ID |
CP0473853
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| Compound Name |
4-tert-butyl-N-[3-[6-[4-(dimethylcarbamoyl)anilino]-9-methylpurin-2-yl]-2-methylphenyl]benzamide
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| Structure |
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| Formula |
C33H35N7O2
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| Molecular Weight |
561.69
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
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| InChI |
InChI=1S/C33H35N7O2/c1-20-25(9-8-10-26(20)36-31(41)21-11-15-23(16-12-21)33(2,3)4)28-37-29(27-30(38-28)40(7)19-34-27)35-24-17-13-22(14-18-24)32(42)39(5)6/h8-19H,1-7H3,(H,36,41)(H,35,37,38)
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| InChIKey |
KDKSVDLIOKXPLO-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