General Information of the Compound
| Compound ID |
CP0472982
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| Compound Name |
1-(1,3-benzothiazol-2-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C19H13N7O2S
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| Molecular Weight |
403.427
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| Canonical SMILES |
O=C(Nc1nc2ccccc2s1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1
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| InChI |
InChI=1S/C19H13N7O2S/c27-18(25-19-24-14-3-1-2-4-15(14)29-19)23-11-5-7-12(8-6-11)28-17-13-9-22-26-16(13)20-10-21-17/h1-10H,(H,20,21,22,26)(H2,23,24,25,27)
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| InChIKey |
WXZGONTUBNGGBA-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