General Information of the Compound
| Compound ID |
CP0463308
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| Compound Name |
2-(dimethylamino)ethyl 4-[[2-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-9-methylpurin-6-yl]amino]benzoate
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| Structure |
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| Formula |
C35H39N7O3
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| Molecular Weight |
605.743
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| Canonical SMILES |
CN(C)CCOC(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
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| InChI |
InChI=1S/C35H39N7O3/c1-22-27(9-8-10-28(22)38-33(43)23-11-15-25(16-12-23)35(2,3)4)30-39-31(29-32(40-30)42(7)21-36-29)37-26-17-13-24(14-18-26)34(44)45-20-19-41(5)6/h8-18,21H,19-20H2,1-7H3,(H,38,43)(H,37,39,40)
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| InChIKey |
FHRINEAWKZNNEZ-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