General Information of the Compound
| Compound ID |
CP0568990
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| Compound Name |
CHEMBL5074631
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| Formula |
C19H36N2O4S
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| Molecular Weight |
388.574
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| Canonical SMILES |
CCS(=O)(=O)N[C@H]1CCCN([C@H]1CO[C@H]1CC[C@@H](CC1)C(C)C)C(C)=O
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| InChI |
InChI=1S/C19H36N2O4S/c1-5-26(23,24)20-18-7-6-12-21(15(4)22)19(18)13-25-17-10-8-16(9-11-17)14(2)3/h14,16-20H,5-13H2,1-4H3/t16-,17-,18-,19-/m0/s1
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| InChIKey |
BXCHBUYDFXKLTP-VJANTYMQSA-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