General Information of the Compound
| Compound ID |
CP0528726
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| Compound Name |
US10287305, Example 303
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| Formula |
C22H34N2O5S
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| Molecular Weight |
438.59
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| Canonical SMILES |
CCOC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C22H34N2O5S/c1-3-28-22(25)24-15-7-10-20(23-30(2,26)27)21(24)16-29-19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,18-21,23H,3,7,10-16H2,1-2H3/t18-,19+,20-,21-/m0/s1
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| InChIKey |
GHZYGSCCYQLHKJ-WOZUAGRISA-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