General Information of the Compound
| Compound ID |
CP0003969
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| Compound Name |
4-amino-6-[[(1S)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C19H15FN8
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| Molecular Weight |
374.383
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1
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| InChI |
InChI=1S/C19H15FN8/c1-11(26-18-13(9-21)17(22)24-10-25-18)19-27-14-6-5-12(20)8-15(14)28(19)16-4-2-3-7-23-16/h2-8,10-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1
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| InChIKey |
CJJJMUGTTBYKLR-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