General Information of the Compound
| Compound ID |
CP0055473
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| Compound Name |
(2S,4R)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-4-(dimethylamino)pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C21H29N7O2S
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| Molecular Weight |
443.577
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| Canonical SMILES |
CN(C)[C@@H]1C[C@H](N(C1)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C21H29N7O2S/c1-21(2,3)18-23-9-11-6-7-13-16(15(11)25-18)31-19(24-13)26-20(30)28-10-12(27(4)5)8-14(28)17(22)29/h9,12,14H,6-8,10H2,1-5H3,(H2,22,29)(H,24,26,30)/t12-,14+/m1/s1
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| InChIKey |
DJRQRNRKULPYAV-OCCSQVGLSA-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