General Information of the Compound
| Compound ID |
CP0367830
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| Compound Name |
1-(4-bromophenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)phenyl]urea
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| Structure |
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| Formula |
C18H14BrN7O
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| Molecular Weight |
424.262
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| Canonical SMILES |
Brc1ccc(NC(=O)Nc2ccc(Nc3ncnc4n[nH]cc34)cc2)cc1
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| InChI |
InChI=1S/C18H14BrN7O/c19-11-1-3-13(4-2-11)24-18(27)25-14-7-5-12(6-8-14)23-16-15-9-22-26-17(15)21-10-20-16/h1-10H,(H2,24,25,27)(H2,20,21,22,23,26)
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| InChIKey |
JWEDGONIPHOTHT-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