General Information of the Compound
| Compound ID |
CP0252443
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| Compound Name |
2,4-diamino-6-[[(1S)-1-[3-(3,5-difluorophenyl)-7-fluoro-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C22H16F3N7O
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| Molecular Weight |
451.412
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| Canonical SMILES |
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H16F3N7O/c1-10(29-20-17(8-26)19(27)30-22(28)31-20)16-7-15-3-2-12(23)9-32(15)21(33)18(16)11-4-13(24)6-14(25)5-11/h2-7,9-10H,1H3,(H5,27,28,29,30,31)/t10-/m0/s1
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| InChIKey |
PGMJZGUJLIHCCC-JTQLQIEISA-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