General Information of the Compound
| Compound ID |
CP0552624
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| Compound Name |
3-[[1-methyl-3-[1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanoic acid
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| Structure |
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| Formula |
C19H17F3N8O2
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| Molecular Weight |
446.393
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| Canonical SMILES |
Cn1ncc(-c2nn(C)c3ncnc(NCCC(O)=O)c23)c1-c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N8O2/c1-29-16(12-4-3-10(7-24-12)19(20,21)22)11(8-27-29)15-14-17(23-6-5-13(31)32)25-9-26-18(14)30(2)28-15/h3-4,7-9H,5-6H2,1-2H3,(H,31,32)(H,23,25,26)
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| InChIKey |
PMEFUWBRVHNNNJ-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