General Information of the Compound
| Compound ID |
CP0303581
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| Compound Name |
1-(3-fluorophenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C18H13FN6O2
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| Molecular Weight |
364.34
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| Canonical SMILES |
Fc1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
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| InChI |
InChI=1S/C18H13FN6O2/c19-11-2-1-3-13(8-11)24-18(26)23-12-4-6-14(7-5-12)27-17-15-9-22-25-16(15)20-10-21-17/h1-10H,(H2,23,24,26)(H,20,21,22,25)
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| InChIKey |
NMIMNNFWSUROHT-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