General Information of the Compound
| Compound ID |
CP0522971
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| Compound Name |
3-((4-(4-fluorophenyl)-5-(2-((S)-1-phenylethylamino)pyrimidin-4-yl)-1H-imidazol-2-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C29H23FN6
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| Molecular Weight |
474.543
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H23FN6/c1-19(22-8-3-2-4-9-22)33-29-32-15-14-25(34-29)28-27(23-10-12-24(30)13-11-23)35-26(36-28)17-20-6-5-7-21(16-20)18-31/h2-16,19H,17H2,1H3,(H,35,36)(H,32,33,34)/t19-/m0/s1
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| InChIKey |
XEKFZMNOWBIOEM-IBGZPJMESA-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