General Information of the Compound
| Compound ID |
CP0157490
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| Compound Name |
(2S)-1-N-[5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C18H20F3N5O2S
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| Molecular Weight |
427.452
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| Canonical SMILES |
CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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| InChIKey |
XQOYOWADRSYAQH-NSHDSACASA-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