General Information of the Compound
| Compound ID |
CP0107860
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| Compound Name |
(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C18H25N7O2S
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| Molecular Weight |
403.512
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| Canonical SMILES |
CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
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| InChI |
InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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| InChIKey |
ILYIIUXVBQOOOQ-ZDUSSCGKSA-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