General Information of the Compound
| Compound ID |
CP0174742
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| Compound Name |
N-[3-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-yl]-1H-indazol-4-amine
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| Structure |
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| Formula |
C17H12F3N7
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| Molecular Weight |
371.326
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| Canonical SMILES |
Nc1cc(nc(n1)C(F)(F)F)-c1cccnc1Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C17H12F3N7/c18-17(19,20)16-25-13(7-14(21)26-16)9-3-2-6-22-15(9)24-11-4-1-5-12-10(11)8-23-27-12/h1-8H,(H,22,24)(H,23,27)(H2,21,25,26)
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| InChIKey |
CNVZEXBATVQXBV-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform