General Information of the Compound
| Compound ID |
CP0468727
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| Compound Name |
1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[3-fluoro-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C25H22F2N8O2
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| Molecular Weight |
504.501
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(F)c2)n(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H22F2N8O2/c1-25(2,3)20-11-21(35(34-20)16-7-4-14(26)5-8-16)32-24(36)31-15-6-9-19(18(27)10-15)37-23-17-12-30-33-22(17)28-13-29-23/h4-13H,1-3H3,(H2,31,32,36)(H,28,29,30,33)
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| InChIKey |
WIYFPDFVLSYIRV-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