General Information of the Compound
| Compound ID |
CP0403090
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| Compound Name |
2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N-ethyl-N-(6-methylpyridin-2-yl)acetamide
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| Structure |
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| Formula |
C26H31ClN4O5S
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| Molecular Weight |
547.077
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| Canonical SMILES |
CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1
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| InChI |
InChI=1S/C26H31ClN4O5S/c1-7-30(25-10-8-9-18(2)28-25)26(32)17-31(22-15-19(29(3)4)11-13-21(22)27)37(33,34)20-12-14-23(35-5)24(16-20)36-6/h8-16H,7,17H2,1-6H3
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| InChIKey |
QHQFOBUXHCEYNJ-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