General Information of the Compound
| Compound ID |
CP0466053
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| Compound Name |
4-chloro-N-cyclohexyl-N-[3-(3,5-difluoroanilino)-3-oxopropyl]benzamide
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| Structure |
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| Formula |
C22H23ClF2N2O2
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| Molecular Weight |
420.887
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)CCN(C2CCCCC2)C(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C22H23ClF2N2O2/c23-16-8-6-15(7-9-16)22(29)27(20-4-2-1-3-5-20)11-10-21(28)26-19-13-17(24)12-18(25)14-19/h6-9,12-14,20H,1-5,10-11H2,(H,26,28)
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| InChIKey |
AVQODIGAPFGWID-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2