General Information of the Compound
| Compound ID |
CP0258835
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| Compound Name |
9-[1-(3,4-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C23H25F2N5O3
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| Molecular Weight |
457.481
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| Canonical SMILES |
CC(Nc1ccc(F)c(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
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| InChI |
InChI=1S/C23H25F2N5O3/c1-14(26-16-4-5-18(24)19(25)11-16)17-10-15(23(32)28(2)3)13-30-21(31)12-20(27-22(17)30)29-6-8-33-9-7-29/h4-5,10-14,26H,6-9H2,1-3H3
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| InChIKey |
HVSBKTAFBBXIGT-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