General Information of the Compound
| Compound ID |
CP0554114
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| Compound Name |
2-(4-tert-butyl-N-p-tolylphenylsulfonamido)-N,N-diethylacetamide
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| Structure |
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| Formula |
C23H32N2O3S
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| Molecular Weight |
416.587
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| Canonical SMILES |
CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H32N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h9-16H,7-8,17H2,1-6H3
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| InChIKey |
OFXZJOZJRALMEK-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