General Information of the Compound
| Compound ID |
CP0368217
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| Compound Name |
1-cyclohexyl-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C18H20N6O2
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| Molecular Weight |
352.398
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| Canonical SMILES |
O=C(NC1CCCCC1)Nc1ccc(Oc2ncnc3n[nH]cc23)cc1
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| InChI |
InChI=1S/C18H20N6O2/c25-18(22-12-4-2-1-3-5-12)23-13-6-8-14(9-7-13)26-17-15-10-21-24-16(15)19-11-20-17/h6-12H,1-5H2,(H2,22,23,25)(H,19,20,21,24)
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| InChIKey |
CQEDTVBKKZWBLM-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