General Information of the Compound
| Compound ID |
CP0384504
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| Compound Name |
N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-[2-(dimethylamino)ethoxy]benzamide
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| Structure |
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| Formula |
C25H31F2N3O3
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| Molecular Weight |
459.537
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)C(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1
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| InChI |
InChI=1S/C25H31F2N3O3/c1-29(2)12-13-33-23-10-8-18(9-11-23)25(32)30(22-6-4-3-5-7-22)17-24(31)28-21-15-19(26)14-20(27)16-21/h8-11,14-16,22H,3-7,12-13,17H2,1-2H3,(H,28,31)
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| InChIKey |
PRRJJZJQDLFHLQ-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