General Information of the Compound
| Compound ID |
CP0558631
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] thiophene-2-carboxylate
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| Structure |
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| Formula |
C27H21ClF3N3O3S
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| Molecular Weight |
559.997
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OC(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C27H21ClF3N3O3S/c28-22-8-5-18(14-21(22)27(29,30)31)25(35)33-11-9-19(10-12-33)34-16-32-15-23(34)17-3-6-20(7-4-17)37-26(36)24-2-1-13-38-24/h1-8,13-16,19H,9-12H2
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| InChIKey |
RURIBNGWCPHVBU-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