General Information of the Compound
| Compound ID |
CP0051265
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| Compound Name |
2-(3-Trifluoromethyl-phenylamino)-1,9-dihydro-purin-6-one
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| Synonyms |
N2-(3-trifluoromethylphenyl)guanine
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| Structure |
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| Formula |
C12H8F3N5O
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| Molecular Weight |
295.224
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc3nc[nH]c3c(=O)[nH]2)c1
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| InChI |
InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
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| InChIKey |
IOWPKEYIXBBDOQ-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
Clinical Information about the Compound