General Information of the Compound
| Compound ID |
CP0431186
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| Compound Name |
(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C20H22FN3O4S
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| Molecular Weight |
419.478
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| Canonical SMILES |
F[C@H]1CN(CCC11OCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H22FN3O4S/c21-18-15-23(19(25)22-16-7-3-1-4-8-16)12-11-20(18)24(13-14-28-20)29(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,25)/t18-,20?/m0/s1
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| InChIKey |
JSJWQXSSQJPVPR-LROBGIAVSA-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