General Information of the Compound
| Compound ID |
CP0473311
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| Compound Name |
4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-[1-(thiophene-2-carbonyl)-piperidin-4-ylidene]-methyl}-biphenyl-3-carbonitrile
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| Structure |
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| Formula |
C32H22F4N4OS
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| Molecular Weight |
586.614
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| Canonical SMILES |
Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC1)C(=O)c1cccs1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C32H22F4N4OS/c33-25-17-27-26(16-24(25)32(34,35)36)38-30(39-27)29(22-10-12-40(13-11-22)31(41)28-5-2-14-42-28)21-8-6-20(7-9-21)23-4-1-3-19(15-23)18-37/h1-9,14-17H,10-13H2,(H,38,39)
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| InChIKey |
PEBKTIURWUXCGV-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