General Information of the Compound
| Compound ID |
CP0060653
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| Compound Name |
1-(4-(4-(3,6-dihydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(2-fluoroethyl)urea
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| Structure |
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| Formula |
C21H20F4N6O2
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| Molecular Weight |
464.423
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| Canonical SMILES |
FCCNC(=O)Nc1ccc(cc1)-c1nc(C2=CCOCC2)c2cnn(CC(F)(F)F)c2n1
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| InChI |
InChI=1S/C21H20F4N6O2/c22-7-8-26-20(32)28-15-3-1-14(2-4-15)18-29-17(13-5-9-33-10-6-13)16-11-27-31(19(16)30-18)12-21(23,24)25/h1-5,11H,6-10,12H2,(H2,26,28,32)
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| InChIKey |
HAGVHIKZYFOZND-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