General Information of the Compound
| Compound ID |
CP0144237
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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-methylurea
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| Structure |
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| Formula |
C20H19F3N6O2
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| Molecular Weight |
432.406
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1nc(C2=CCOCC2)c2cnn(CC(F)(F)F)c2n1
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| InChI |
InChI=1S/C20H19F3N6O2/c1-24-19(30)26-14-4-2-13(3-5-14)17-27-16(12-6-8-31-9-7-12)15-10-25-29(18(15)28-17)11-20(21,22)23/h2-6,10H,7-9,11H2,1H3,(H2,24,26,30)
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| InChIKey |
WARHZMCNVITGFR-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