General Information of the Compound
| Compound ID |
CP0503025
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| Compound Name |
2-(N-(2-chloro-5-(trifluoromethyl)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
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| Structure |
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| Formula |
C21H24ClF3N2O5S
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| Molecular Weight |
508.946
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| Canonical SMILES |
CCN(CC)C(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C21H24ClF3N2O5S/c1-5-26(6-2)20(28)13-27(17-11-14(21(23,24)25)7-9-16(17)22)33(29,30)15-8-10-18(31-3)19(12-15)32-4/h7-12H,5-6,13H2,1-4H3
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| InChIKey |
FGPKKZFMCYCTAW-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1