General Information of the Compound
| Compound ID |
CP0637312
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| Compound Name |
5-[2-Amino-3-(1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C22H22N8O
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| Molecular Weight |
414.473
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| Canonical SMILES |
Cc1cc(-c2ccn3nc(N)c(-c4nc[nH]n4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C22H22N8O/c1-11-7-14(8-15-9-29(22(31)17(11)15)12(2)13-3-4-13)16-5-6-30-21(26-16)18(19(23)28-30)20-24-10-25-27-20/h5-8,10,12-13H,3-4,9H2,1-2H3,(H2,23,28)(H,24,25,27)/t12-/m0/s1
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| InChIKey |
MUOBADCHUJUBIR-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