General Information of the Compound
| Compound ID |
CP0010702
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| Compound Name |
4-amino-6-[[(1S)-1-[6-fluoro-1-(5-fluoropyridin-3-yl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C19H14F2N8
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| Molecular Weight |
392.373
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1
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| InChI |
InChI=1S/C19H14F2N8/c1-10(27-18-14(6-22)17(23)25-9-26-18)19-28-15-3-2-11(20)5-16(15)29(19)13-4-12(21)7-24-8-13/h2-5,7-10H,1H3,(H3,23,25,26,27)/t10-/m0/s1
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| InChIKey |
QLWGSXWLXIBFPF-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