General Information of the Compound
| Compound ID |
CP0454764
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| Compound Name |
CHEMBL51884
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| Formula |
C29H36N2O2S
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| Molecular Weight |
476.686
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| Canonical SMILES |
O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H36N2O2S/c32-34(33,29-11-5-9-26-7-3-4-10-28(26)29)31-21-23-14-12-22(13-15-23)19-30-20-24-16-17-25-6-1-2-8-27(25)18-24/h1-11,22-24,30-31H,12-21H2/t22-,23-,24?
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| InChIKey |
IYJDQLQMYQTJHS-IHJHTLIFSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01795, Neuropeptide Y receptor type 5