General Information of the Compound
| Compound ID |
CP0095462
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| Compound Name |
(2S,3R)-1-N-(7-tert-butyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C19H25N5O2S2
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| Molecular Weight |
419.576
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| Canonical SMILES |
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C
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| InChI |
InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1
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| InChIKey |
LOEKGCYPMNBADZ-RNCFNFMXSA-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