General Information of the Compound
| Compound ID |
CP0776506
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| Compound Name |
Rac-4-Amino-6-(1-(6-fluoro-4-(piperazine-1-carbonyl)-3-(pyridin-2-yl)quinolin-2-yl)ethylamino)pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C26H24FN9O
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| Molecular Weight |
497.538
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| Canonical SMILES |
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C(=O)N2CCNCC2)c1-c1ccccn1
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| InChI |
InChI=1S/C26H24FN9O/c1-15(34-25-18(13-28)24(29)32-14-33-25)23-22(20-4-2-3-7-31-20)21(26(37)36-10-8-30-9-11-36)17-12-16(27)5-6-19(17)35-23/h2-7,12,14-15,30H,8-11H2,1H3,(H3,29,32,33,34)
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| InChIKey |
BUFXCNVHSXFTPL-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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform