General Information of the Compound
| Compound ID |
CP0012180
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| Compound Name |
5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
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| Formula |
C25H24N6O
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| Molecular Weight |
424.508
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccccn3)c2n1
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| InChI |
InChI=1S/C25H24N6O/c1-14-11-17(12-18-13-30(25(32)21(14)18)15(2)16-6-7-16)19-8-10-31-24(28-19)22(23(26)29-31)20-5-3-4-9-27-20/h3-5,8-12,15-16H,6-7,13H2,1-2H3,(H2,26,29)/t15-/m0/s1
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| InChIKey |
SOTXCCDMWLOUTG-HNNXBMFYSA-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