General Information of the Compound
| Compound ID |
CP0447309
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| Compound Name |
4-(azetidin-1-yl)-3-[5-(5-cyclopropylpyrimidin-2-yl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C20H21N9
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| Molecular Weight |
387.451
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| Canonical SMILES |
Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ncc(cn1)C1CC1
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| InChI |
InChI=1S/C20H21N9/c1-27-17(18-21-8-13(9-22-18)12-4-5-12)14(10-25-27)16-15-19(28(2)26-16)23-11-24-20(15)29-6-3-7-29/h8-12H,3-7H2,1-2H3
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| InChIKey |
FFXHCJKHCKSBRF-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