General Information of the Compound
| Compound ID |
CP0012928
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| Compound Name |
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
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| Formula |
C22H24N6O4S
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| Molecular Weight |
468.539
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| Canonical SMILES |
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(NC(C)=O)cc2n1
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| InChI |
InChI=1S/C22H24N6O4S/c1-12(14-4-5-14)27-11-16-8-15(9-18(21(16)22(27)30)33(31,32)23-3)17-6-7-28-20(25-17)10-19(26-28)24-13(2)29/h6-10,12,14,23H,4-5,11H2,1-3H3,(H,24,26,29)/t12-/m0/s1
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| InChIKey |
AUVXHAYEWAWVGY-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