General Information of the Compound
| Compound ID |
CP0043425
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| Compound Name |
2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6-carbonitrile
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| Structure |
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| Formula |
C15H10F3N5O
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| Molecular Weight |
333.273
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| Canonical SMILES |
CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1
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| InChI |
InChI=1S/C15H10F3N5O/c1-2-24-11-4-3-8(5-9(11)15(16,17)18)13-22-10(6-19)12-14(23-13)21-7-20-12/h3-5,7H,2H2,1H3,(H,20,21,22,23)
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| InChIKey |
VKSGXYBWSOFNOU-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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