General Information of the Compound
| Compound ID |
CP0407771
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| Compound Name |
2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,4-dimethoxyphenylsulfonamido)-N-ethyl-N-(pyridin-2-yl)acetamide
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| Structure |
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| Formula |
C25H25ClN4O5S2
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| Molecular Weight |
561.085
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| Canonical SMILES |
CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccn1
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| InChI |
InChI=1S/C25H25ClN4O5S2/c1-5-29(24-8-6-7-11-27-24)25(31)15-30(20-13-18-16(2)28-36-23(18)14-19(20)26)37(32,33)17-9-10-21(34-3)22(12-17)35-4/h6-14H,5,15H2,1-4H3
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| InChIKey |
MVBFCYKQJURDCE-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