General Information of the Compound
| Compound ID |
CP0542690
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| Compound Name |
N-(cis-1-acetyl-2-(((cis-4- isopropylcyclohexyl)oxy)methyl)- piperidin-3-yl)propane-2-sulfonamide
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| Formula |
C20H38N2O4S
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| Molecular Weight |
402.601
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)NS(=O)(=O)C(C)C
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| InChI |
InChI=1S/C20H38N2O4S/c1-14(2)17-8-10-18(11-9-17)26-13-20-19(21-27(24,25)15(3)4)7-6-12-22(20)16(5)23/h14-15,17-21H,6-13H2,1-5H3/t17-,18+,19-,20-/m0/s1
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| InChIKey |
KYMDPDRXJOEXIR-YRPNKDGESA-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