General Information of the Compound
| Compound ID |
CP0374083
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| Compound Name |
4-N-(4-fluorophenyl)-1-methyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C15H15FN6
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| Molecular Weight |
298.325
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| Canonical SMILES |
Cn1ncc2c(Nc3ccc(F)cc3)nc(NCC=C)nc12
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| InChI |
InChI=1S/C15H15FN6/c1-3-8-17-15-20-13(12-9-18-22(2)14(12)21-15)19-11-6-4-10(16)5-7-11/h3-7,9H,1,8H2,2H3,(H2,17,19,20,21)
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| InChIKey |
INPIGGLZLSKUDO-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