General Information of the Compound
| Compound ID |
CP0125936
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| Compound Name |
2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9-(2-hydroxyethyl)-9H-purine-6-carbonitrile
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| Structure |
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| Formula |
C17H14F3N5O2
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| Molecular Weight |
377.326
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| Canonical SMILES |
CCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2ncn(CCO)c2n1
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| InChI |
InChI=1S/C17H14F3N5O2/c1-2-27-13-4-3-10(7-11(13)17(18,19)20)15-23-12(8-21)14-16(24-15)25(5-6-26)9-22-14/h3-4,7,9,26H,2,5-6H2,1H3
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| InChIKey |
QHQDWAPRBHWGKK-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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