General Information of the Compound
| Compound ID |
CP0150168
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| Compound Name |
1-(2-fluoroethyl)-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
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| Structure |
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| Formula |
C20H21F4N7O2
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| Molecular Weight |
467.427
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| Canonical SMILES |
FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CC(F)(F)F)c2n1
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| InChI |
InChI=1S/C20H21F4N7O2/c21-5-6-25-19(32)27-14-3-1-13(2-4-14)16-28-17(30-7-9-33-10-8-30)15-11-26-31(18(15)29-16)12-20(22,23)24/h1-4,11H,5-10,12H2,(H2,25,27,32)
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| InChIKey |
ZAEPCTWTCFBKRF-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