General Information of the Compound
| Compound ID |
CP0542691
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| Compound Name |
CHEMBL5083834
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| Formula |
C19H36N2O4S
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| Molecular Weight |
388.574
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](CC1)OC[C@H]1[C@H](CCCN1C(C)=O)N(C)S(C)(=O)=O
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| InChI |
InChI=1S/C19H36N2O4S/c1-14(2)16-8-10-17(11-9-16)25-13-19-18(20(4)26(5,23)24)7-6-12-21(19)15(3)22/h14,16-19H,6-13H2,1-5H3/t16-,17+,18-,19-/m0/s1
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| InChIKey |
PCCHODVGQHVBGM-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