General Information of the Compound
| Compound ID |
CP0522973
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| Compound Name |
3-((4-(4-fluorophenyl)-5-(2-((S)-1-phenylethylamino)pyrimidin-4-yl)-1H-imidazol-1-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)-c1c(ncn1Cc1cccc(c1)C#N)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H23FN6/c1-20(23-8-3-2-4-9-23)34-29-32-15-14-26(35-29)28-27(24-10-12-25(30)13-11-24)33-19-36(28)18-22-7-5-6-21(16-22)17-31/h2-16,19-20H,18H2,1H3,(H,32,34,35)/t20-/m0/s1
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| InChIKey |
LTQIHXHFIGJWLO-FQEVSTJZSA-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