General Information of the Compound
| Compound ID |
CP0390766
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| Compound Name |
4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane
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| Structure |
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| Formula |
C21H22N4O3S
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| Molecular Weight |
410.499
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| Canonical SMILES |
O=S(=O)(N1CCOC11CCN(CC1)c1cnc2ccccc2n1)c1ccccc1
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| InChI |
InChI=1S/C21H22N4O3S/c26-29(27,17-6-2-1-3-7-17)25-14-15-28-21(25)10-12-24(13-11-21)20-16-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2
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| InChIKey |
UUPIIGACQRBPPF-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