General Information of the Compound
| Compound ID |
CP0233712
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| Compound Name |
4-bromo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]benzamide
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| Structure |
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| Formula |
C18H12BrN5O2
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| Molecular Weight |
410.231
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| Canonical SMILES |
Brc1ccc(cc1)C(=O)Nc1cccc(Oc2ncnc3n[nH]cc23)c1
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| InChI |
InChI=1S/C18H12BrN5O2/c19-12-6-4-11(5-7-12)17(25)23-13-2-1-3-14(8-13)26-18-15-9-22-24-16(15)20-10-21-18/h1-10H,(H,23,25)(H,20,21,22,24)
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| InChIKey |
CAKCWVMJYXCZCX-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