General Information of the Compound
| Compound ID |
CP0443937
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| Compound Name |
2-[1-(benzenesulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
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| Structure |
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| Formula |
C21H23N3O3S
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| Molecular Weight |
397.5
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| Canonical SMILES |
O=S(=O)(N1CCCC11CCN(CC1)c1nc2ccccc2o1)c1ccccc1
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| InChI |
InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2
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| InChIKey |
KIKWLYIDCILHAP-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