General Information of the Compound
| Compound ID |
CP0303585
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| Compound Name |
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]urea
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| Structure |
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| Formula |
C20H18N6O3
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| Molecular Weight |
390.403
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4n(C)ncc34)cc2)c1
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| InChI |
InChI=1S/C20H18N6O3/c1-26-18-17(11-23-26)19(22-12-21-18)29-15-8-6-13(7-9-15)24-20(27)25-14-4-3-5-16(10-14)28-2/h3-12H,1-2H3,(H2,24,25,27)
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| InChIKey |
SFXJOPJCHZOWAT-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