General Information of the Compound
| Compound ID |
CP0507463
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| Compound Name |
2-(6-chloropurin-9-yl)-1-(2,4-dichlorophenyl)ethanone
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| Formula |
C13H7Cl3N4O
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| Molecular Weight |
341.585
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| Canonical SMILES |
Clc1ccc(C(=O)Cn2cnc3c(Cl)ncnc23)c(Cl)c1
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| InChI |
InChI=1S/C13H7Cl3N4O/c14-7-1-2-8(9(15)3-7)10(21)4-20-6-19-11-12(16)17-5-18-13(11)20/h1-3,5-6H,4H2
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| InChIKey |
NLRGSGVPLHCTPK-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