General Information of the Compound
| Compound ID |
CP0389405
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| Compound Name |
1-[1-methyl-3-[1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]azetidin-3-ol
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| Structure |
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| Formula |
C19H17F3N8O
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| Molecular Weight |
430.394
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| Canonical SMILES |
Cn1ncc(-c2nn(C)c3ncnc(N4CC(O)C4)c23)c1-c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N8O/c1-28-16(13-4-3-10(5-23-13)19(20,21)22)12(6-26-28)15-14-17(29(2)27-15)24-9-25-18(14)30-7-11(31)8-30/h3-6,9,11,31H,7-8H2,1-2H3
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| InChIKey |
QWLYEXUJYIXTAI-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