General Information of the Compound
| Compound ID |
CP0543923
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| Compound Name |
2-[2-chloro-7-[(4-chlorophenyl)methyl]-6-morpholin-4-yl-8-oxopurin-9-yl]-N-(3,4-difluorophenyl)acetamide
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| Structure |
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| Formula |
C24H20Cl2F2N6O3
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| Molecular Weight |
549.365
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| Canonical SMILES |
Fc1ccc(NC(=O)Cn2c3nc(Cl)nc(N4CCOCC4)c3n(Cc3ccc(Cl)cc3)c2=O)cc1F
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| InChI |
InChI=1S/C24H20Cl2F2N6O3/c25-15-3-1-14(2-4-15)12-33-20-21(32-7-9-37-10-8-32)30-23(26)31-22(20)34(24(33)36)13-19(35)29-16-5-6-17(27)18(28)11-16/h1-6,11H,7-10,12-13H2,(H,29,35)
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| InChIKey |
QXPAJJLRYLWOSZ-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