General Information of the Compound
| Compound ID |
CP0483393
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| Compound Name |
1-(4-phenyl-1,3-thiazol-2-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C21H15N7O2S
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| Molecular Weight |
429.465
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| Canonical SMILES |
O=C(Nc1nc(cs1)-c1ccccc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1
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| InChI |
InChI=1S/C21H15N7O2S/c29-20(27-21-26-17(11-31-21)13-4-2-1-3-5-13)25-14-6-8-15(9-7-14)30-19-16-10-24-28-18(16)22-12-23-19/h1-12H,(H,22,23,24,28)(H2,25,26,27,29)
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| InChIKey |
WVZAHVMIRWYWJR-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