General Information of the Compound
| Compound ID |
CP0421234
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| Compound Name |
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
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| Structure |
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| Formula |
C25H28N2O6S
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| Molecular Weight |
484.574
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| Canonical SMILES |
COc1ccc(cc1)N(CC(=O)NC(C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C25H28N2O6S/c1-18(19-8-6-5-7-9-19)26-25(28)17-27(20-10-12-21(31-2)13-11-20)34(29,30)22-14-15-23(32-3)24(16-22)33-4/h5-16,18H,17H2,1-4H3,(H,26,28)
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| InChIKey |
JEAMDNZXOGZFSZ-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