General Information of the Compound
| Compound ID |
CP0107863
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| Compound Name |
N-[5-(2-tert-butylpyridin-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C18H24N4OS
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| Molecular Weight |
344.484
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
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| InChI |
InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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| InChIKey |
KVSJQCPJNCQNHH-UHFFFAOYSA-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