General Information of the Compound
| Compound ID |
CP0051973
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| Compound Name |
(2S)-1-N-[5-(2-tert-butylpyridin-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-N-methylpyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C20H27N5O2S
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| Molecular Weight |
401.536
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
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| InChI |
InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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| InChIKey |
HVZMOWIGUYIFDP-AWEZNQCLSA-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