General Information of the Compound
| Compound ID |
CP0558206
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| Compound Name |
1-(4-chlorophenyl)-2-(6-chloropurin-9-yl)ethanone
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| Formula |
C13H8Cl2N4O
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| Molecular Weight |
307.14
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Cn1cnc2c(Cl)ncnc12
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| InChI |
InChI=1S/C13H8Cl2N4O/c14-9-3-1-8(2-4-9)10(20)5-19-7-18-11-12(15)16-6-17-13(11)19/h1-4,6-7H,5H2
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| InChIKey |
RRIRJKXNTPRPTC-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