General Information of the Compound
| Compound ID |
CP0107861
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| Compound Name |
(2S)-1-N-[5-[2-(1-cyanocyclopropyl)pyridin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C19H20N6O2S
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| Molecular Weight |
396.476
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
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| InChI |
InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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| InChIKey |
NGSUGGPEIWGUBD-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