General Information of the Compound
| Compound ID |
CP0375072
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| Compound Name |
8-(1-methylimidazol-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole
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| Structure |
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| Formula |
C20H20N6OS
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| Molecular Weight |
392.488
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| Canonical SMILES |
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cn(C)cn2)s1
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| InChI |
InChI=1S/C20H20N6OS/c1-12(2)26-19(21-10-23-26)20-24-18-14-5-4-13(15-9-25(3)11-22-15)8-16(14)27-7-6-17(18)28-20/h4-5,8-12H,6-7H2,1-3H3
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| InChIKey |
QXEBUDGMCKMQGM-UHFFFAOYSA-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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform