General Information of the Compound
| Compound ID |
CP0515530
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| Compound Name |
[5-(4-chlorophenyl)furan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H18ClF3N2O2
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| Molecular Weight |
434.845
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1ccc(o1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H18ClF3N2O2/c23-17-6-4-15(5-7-17)19-8-9-20(30-19)21(29)28-12-10-27(11-13-28)18-3-1-2-16(14-18)22(24,25)26/h1-9,14H,10-13H2
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| InChIKey |
XGVHEGGVYVHPBP-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