General Information of the Compound
| Compound ID |
CP0116057
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| Compound Name |
(2S)-1-N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]azetidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C17H22N6O2S
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| Molecular Weight |
374.47
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| Canonical SMILES |
Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
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| InChI |
InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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| InChIKey |
YTZJKHFYHKBULK-NSHDSACASA-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform