General Information of the Compound
| Compound ID |
CP0275509
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| Compound Name |
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
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| Structure |
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| Formula |
C23H21F3N8O2
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| Molecular Weight |
498.469
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| Canonical SMILES |
FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C23H21F3N8O2/c24-23(25,26)14-34-21-18(13-28-34)20(33-8-10-36-11-9-33)31-19(32-21)15-3-5-16(6-4-15)29-22(35)30-17-2-1-7-27-12-17/h1-7,12-13H,8-11,14H2,(H2,29,30,35)
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| InChIKey |
ZUUDJPWGLNVXOA-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