General Information of the Compound
| Compound ID |
CP0454560
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| Compound Name |
3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C23H28N8
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| Molecular Weight |
416.533
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| Canonical SMILES |
CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCN(C)CC3)c12
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| InChI |
InChI=1S/C23H28N8/c1-5-16-6-8-17(9-7-16)21-18(14-26-29(21)3)20-19-22(30(4)27-20)24-15-25-23(19)31-12-10-28(2)11-13-31/h6-9,14-15H,5,10-13H2,1-4H3
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| InChIKey |
BSKLKYWPVMNTEF-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