General Information of the Compound
| Compound ID |
CP0468729
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| Compound Name |
3-tert-butyl-5-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]carbamoylamino]pyrazole-1-carboxylic acid
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| Structure |
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| Formula |
C20H20N8O4
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| Molecular Weight |
436.432
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(n1)C(O)=O
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| InChI |
InChI=1S/C20H20N8O4/c1-20(2,3)14-8-15(28(27-14)19(30)31)25-18(29)24-11-4-6-12(7-5-11)32-17-13-9-23-26-16(13)21-10-22-17/h4-10H,1-3H3,(H,30,31)(H2,24,25,29)(H,21,22,23,26)
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| InChIKey |
HPIAVVKKPDDMLG-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