General Information of the Compound
| Compound ID |
CP0099116
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| Compound Name |
(1S,5R)-2-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide
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| Structure |
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| Formula |
C20H24N6O2S
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| Molecular Weight |
412.519
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| Canonical SMILES |
CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CC[C@@H]5C[C@]45C(N)=O)sc3-c2n1
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| InChI |
InChI=1S/C20H24N6O2S/c1-19(2,3)16-22-9-10-4-5-12-14(13(10)24-16)29-17(23-12)25-18(28)26-7-6-11-8-20(11,26)15(21)27/h9,11H,4-8H2,1-3H3,(H2,21,27)(H,23,25,28)/t11-,20+/m1/s1
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| InChIKey |
OZLWXEHBSMJCEG-GIPWTMENSA-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