General Information of the Compound
| Compound ID |
CP0220986
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| Compound Name |
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
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| Structure |
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| Formula |
C21H20F4N6O
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| Molecular Weight |
448.424
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| Canonical SMILES |
CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H20F4N6O/c1-3-15-19(32)29(2)16-12-27-20(28-18(16)30(15)10-8-21(23,24)25)31-11-9-26-17(31)13-4-6-14(22)7-5-13/h4-7,9,11-12,15H,3,8,10H2,1-2H3/t15-/m1/s1
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| InChIKey |
XDUIHJCDFMNCIS-OAHLLOKOSA-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