General Information of the Compound
| Compound ID |
CP0527616
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| Compound Name |
4-[2-[4-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]benzonitrile
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| Formula |
C28H27F3N6
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| Molecular Weight |
504.56
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| Canonical SMILES |
FC(F)(F)c1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C#N)CC3)nc3ccccc23)cn1
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| InChI |
InChI=1S/C28H27F3N6/c29-28(30,31)26-10-9-22(18-33-26)19-37-25-4-2-1-3-24(25)35-27(37)34-23-12-15-36(16-13-23)14-11-20-5-7-21(17-32)8-6-20/h1-10,18,23H,11-16,19H2,(H,34,35)
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| InChIKey |
LEKQRZPFTQAZOG-UHFFFAOYSA-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