General Information of the Compound
| Compound ID |
CP0252441
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| Compound Name |
4-amino-6-[[(1S)-1-[1-(3,5-difluorophenyl)-7-fluoro-4-oxoquinolizin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Formula |
C22H15F3N6O
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| Molecular Weight |
436.397
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H15F3N6O/c1-11(30-22-17(8-26)21(27)28-10-29-22)16-7-19(32)31-9-13(23)2-3-18(31)20(16)12-4-14(24)6-15(25)5-12/h2-7,9-11H,1H3,(H3,27,28,29,30)/t11-/m0/s1
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| InChIKey |
BKPMJFPNKMBLEL-NSHDSACASA-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