General Information of the Compound
| Compound ID |
CP0128257
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| Compound Name |
1-(2,3-dimethylphenyl)-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 |
Cc1cccc(NC(=O)Nc2ccc(Nc3ncnc4n[nH]cc34)cc2)c1C
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| InChI |
InChI=1S/C20H19N7O/c1-12-4-3-5-17(13(12)2)26-20(28)25-15-8-6-14(7-9-15)24-18-16-10-23-27-19(16)22-11-21-18/h3-11H,1-2H3,(H2,25,26,28)(H2,21,22,23,24,27)
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| InChIKey |
VWCFFXCKCOGDHF-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