General Information of the Compound
| Compound ID |
CP0475652
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| Compound Name |
6-fluoro-4-(4-methoxyphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C21H24FN3O5S
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| Molecular Weight |
449.504
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCOC11CCN(CC1F)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C21H24FN3O5S/c1-29-17-7-9-18(10-8-17)31(27,28)25-13-14-30-21(25)11-12-24(15-19(21)22)20(26)23-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,26)
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| InChIKey |
BPXDRPKLRNEUEM-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