General Information of the Compound
| Compound ID |
CP0425452
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| Compound Name |
N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C26H25F2N3O2
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| Molecular Weight |
449.501
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
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| InChI |
InChI=1S/C26H25F2N3O2/c27-20-14-21(28)16-22(15-20)30-25(32)17-31(23-6-2-1-3-7-23)26(33)19-11-9-18(10-12-19)24-8-4-5-13-29-24/h4-5,8-16,23H,1-3,6-7,17H2,(H,30,32)
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| InChIKey |
JYWCRIRNJUAIOS-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