General Information of the Compound
| Compound ID |
CP0362492
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| Compound Name |
BDBM50447090
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| Structure |
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| Formula |
C18H19FN4O3
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| Molecular Weight |
358.373
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| Canonical SMILES |
Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C18H19FN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)
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| InChIKey |
NNXWAJVWAVPAPZ-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
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase