General Information of the Compound
| Compound ID |
CP0012414
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| Compound Name |
N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
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| Formula |
C22H20F3N5O2
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| Molecular Weight |
443.429
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(NC(C)=O)cc2n1
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| InChI |
InChI=1S/C22H20F3N5O2/c1-11(13-3-4-13)29-10-15-7-14(8-16(22(23,24)25)20(15)21(29)32)17-5-6-30-19(27-17)9-18(28-30)26-12(2)31/h5-9,11,13H,3-4,10H2,1-2H3,(H,26,28,31)/t11-/m0/s1
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| InChIKey |
LFDGWINKLUZIEU-NSHDSACASA-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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform