General Information of the Compound
| Compound ID |
CP0528728
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| Compound Name |
N-((2R,3S)-2-(((cis-4- phenylcyclohexyl)oxy)methyl)- piperidin-3-yl)methanesulfonamide
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| Formula |
C19H30N2O3S
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| Molecular Weight |
366.527
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| Canonical SMILES |
CS(=O)(=O)N[C@H]1CCCN[C@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C19H30N2O3S/c1-25(22,23)21-18-8-5-13-20-19(18)14-24-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-21H,5,8-14H2,1H3/t16-,17+,18-,19-/m0/s1
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| InChIKey |
GWXIWAAZEKCXMJ-RDGPPVDQSA-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