General Information of the Compound
| Compound ID |
CP0492690
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| Compound Name |
2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
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| Structure |
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| Formula |
C22H26ClN3O5S2
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| Molecular Weight |
512.053
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| Canonical SMILES |
CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C22H26ClN3O5S2/c1-6-25(7-2)22(27)13-26(18-11-16-14(3)24-32-21(16)12-17(18)23)33(28,29)15-8-9-19(30-4)20(10-15)31-5/h8-12H,6-7,13H2,1-5H3
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| InChIKey |
ZPBRRONLQIUFGU-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