General Information of the Compound
| Compound ID |
CP0014717
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| Compound Name |
4-amino-6-[[(1S)-1-[6-fluoro-1-(4-fluorophenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C20H15F2N7
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| Molecular Weight |
391.385
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H15F2N7/c1-11(27-19-15(9-23)18(24)25-10-26-19)20-28-16-7-4-13(22)8-17(16)29(20)14-5-2-12(21)3-6-14/h2-8,10-11H,1H3,(H3,24,25,26,27)/t11-/m0/s1
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| InChIKey |
HJFHBVCVDRZKOR-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