General Information of the Compound
| Compound ID |
CP0500493
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| Compound Name |
1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)phenyl]urea
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| Structure |
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| Formula |
C19H17N7O2
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| Molecular Weight |
375.392
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2ccc(Nc3ncnc4n[nH]cc34)cc2)c1
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| InChI |
InChI=1S/C19H17N7O2/c1-28-15-4-2-3-14(9-15)25-19(27)24-13-7-5-12(6-8-13)23-17-16-10-22-26-18(16)21-11-20-17/h2-11H,1H3,(H2,24,25,27)(H2,20,21,22,23,26)
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| InChIKey |
SSOPBCAOUYATLR-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