General Information of the Compound
| Compound ID |
CP0425711
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| Compound Name |
4-amino-6-[[(1S)-1-[7-fluoro-1-(4-fluorophenyl)-3-methyl-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C23H18F2N6O
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| Molecular Weight |
432.434
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1c(C)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H18F2N6O/c1-12-19(13(2)30-22-17(9-26)21(27)28-11-29-22)20(14-3-5-15(24)6-4-14)18-8-7-16(25)10-31(18)23(12)32/h3-8,10-11,13H,1-2H3,(H3,27,28,29,30)/t13-/m0/s1
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| InChIKey |
AZHBYHIZGYWPKA-ZDUSSCGKSA-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