General Information of the Compound
| Compound ID |
CP0388811
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| Compound Name |
N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C20H21F2N3O2
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| Molecular Weight |
373.403
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2cccnc2)c1
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| InChI |
InChI=1S/C20H21F2N3O2/c21-15-9-16(22)11-17(10-15)24-19(26)13-25(18-6-2-1-3-7-18)20(27)14-5-4-8-23-12-14/h4-5,8-12,18H,1-3,6-7,13H2,(H,24,26)
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| InChIKey |
AENWDQPNVSPTBK-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