General Information of the Compound
| Compound ID |
CP0012829
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| Compound Name |
5-(2-amino-3-pyrimidin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-3H-isoindol-1-one
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| Formula |
C24H20F3N7O
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| Molecular Weight |
479.466
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3ncccn3)c2n1
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| InChI |
InChI=1S/C24H20F3N7O/c1-12(13-3-4-13)33-11-15-9-14(10-16(24(25,26)27)18(15)23(33)35)17-5-8-34-22(31-17)19(20(28)32-34)21-29-6-2-7-30-21/h2,5-10,12-13H,3-4,11H2,1H3,(H2,28,32)/t12-/m0/s1
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| InChIKey |
QWLPXHNNUXMBRO-LBPRGKRZSA-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