General Information of the Compound
| Compound ID |
CP0012827
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| Compound Name |
2-[(1S)-1-cyclopropylethyl]-7-methyl-5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-3H-isoindol-1-one
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| Formula |
C24H24N6O
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| Molecular Weight |
412.497
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2ncc(-c3cnn(C)c3)n2n1
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| InChI |
InChI=1S/C24H24N6O/c1-14-8-17(9-18-13-29(24(31)23(14)18)15(2)16-4-5-16)20-6-7-22-25-11-21(30(22)27-20)19-10-26-28(3)12-19/h6-12,15-16H,4-5,13H2,1-3H3/t15-/m0/s1
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| InChIKey |
SLLWDVCXHJGGIT-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