General Information of the Compound
| Compound ID |
CP0367829
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| Compound Name |
1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)phenyl]urea
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| Structure |
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| Formula |
C20H19N7O
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| Molecular Weight |
373.42
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| Canonical SMILES |
CC(NC(=O)Nc1ccc(Nc2ncnc3n[nH]cc23)cc1)c1ccccc1
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| InChI |
InChI=1S/C20H19N7O/c1-13(14-5-3-2-4-6-14)24-20(28)26-16-9-7-15(8-10-16)25-18-17-11-23-27-19(17)22-12-21-18/h2-13H,1H3,(H2,24,26,28)(H2,21,22,23,25,27)
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| InChIKey |
PWXYTXQUAQRJAT-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