General Information of the Compound
| Compound ID |
CP0252405
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| Compound Name |
2-amino-4-[[(1S)-1-(7-fluoro-1-methyl-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]-6-methylpyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C24H21FN6O
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| Molecular Weight |
428.471
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(C)c2ccc(F)cn2c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C24H21FN6O/c1-13-19-10-9-17(25)12-31(19)23(32)21(16-7-5-4-6-8-16)20(13)15(3)28-22-18(11-26)14(2)29-24(27)30-22/h4-10,12,15H,1-3H3,(H3,27,28,29,30)/t15-/m0/s1
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| InChIKey |
KNRUZKZKCQJDGX-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