General Information of the Compound
| Compound ID |
CP0390759
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| Compound Name |
4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C22H26FN3O6S
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| Molecular Weight |
479.53
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)N1CCOC11CCN(CC1F)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C22H26FN3O6S/c1-30-18-9-8-17(14-19(18)31-2)33(28,29)26-12-13-32-22(26)10-11-25(15-20(22)23)21(27)24-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,27)
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| InChIKey |
MITAEJMHOIHGTB-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