General Information of the Compound
| Compound ID |
CP0114229
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| Compound Name |
9-[1-(3-chloro-2-fluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C25H30ClFN6O3
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| Molecular Weight |
517.005
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| Canonical SMILES |
CC(Nc1cccc(Cl)c1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
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| InChI |
InChI=1S/C25H30ClFN6O3/c1-16(29-20-6-4-5-19(26)23(20)27)18-13-17(25(35)28-7-8-31(2)3)15-33-22(34)14-21(30-24(18)33)32-9-11-36-12-10-32/h4-6,13-16,29H,7-12H2,1-3H3,(H,28,35)
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| InChIKey |
GOYGSVJFUAFYBM-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