General Information of the Compound
| Compound ID |
CP0099117
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| Compound Name |
(2R)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C22H31N7O2S
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| Molecular Weight |
457.604
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| Canonical SMILES |
CN(C)C[C@]1(CCCN1C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C22H31N7O2S/c1-21(2,3)18-24-11-13-7-8-14-16(15(13)26-18)32-19(25-14)27-20(31)29-10-6-9-22(29,17(23)30)12-28(4)5/h11H,6-10,12H2,1-5H3,(H2,23,30)(H,25,27,31)/t22-/m1/s1
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| InChIKey |
OZMJSLYUTMFRDT-JOCHJYFZSA-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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform