General Information of the Compound
| Compound ID |
CP0252440
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| Compound Name |
4-[2-[(1S)-1-[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]ethyl]-7-fluoro-4-oxo-3-phenylquinolizin-1-yl]benzamide
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| Structure |
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| Formula |
C29H23FN8O2
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| Molecular Weight |
534.555
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(cc2)C(N)=O)c2ccc(F)cn2c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C29H23FN8O2/c1-15(35-27-20(13-31)25(32)36-29(34)37-27)22-23(17-7-9-18(10-8-17)26(33)39)21-12-11-19(30)14-38(21)28(40)24(22)16-5-3-2-4-6-16/h2-12,14-15H,1H3,(H2,33,39)(H5,32,34,35,36,37)/t15-/m0/s1
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| InChIKey |
LWKZHXOPFNEQRT-HNNXBMFYSA-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: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform