General Information of the Compound
| Compound ID |
CP0005594
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| Compound Name |
3-(4-(BOC-amino)phenyl)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C22H21ClN6O2
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| Molecular Weight |
436.903
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C22H21ClN6O2/c1-22(2,3)31-21(30)27-15-9-7-13(8-10-15)18-17-19(24-12-25-20(17)29-28-18)26-16-6-4-5-14(23)11-16/h4-12H,1-3H3,(H,27,30)(H2,24,25,26,28,29)
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| InChIKey |
FDHOXGIXMNBPSE-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