General Information of the Compound
| Compound ID |
CP0463643
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| Compound Name |
CHEMBL299295
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| Formula |
C27H33ClN2O3S
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| Molecular Weight |
501.092
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| Canonical SMILES |
OCC(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C27H33ClN2O3S/c28-24-14-12-20(13-15-24)16-25(19-31)29-17-21-8-10-22(11-9-21)18-30-34(32,33)27-7-3-5-23-4-1-2-6-26(23)27/h1-7,12-15,21-22,25,29-31H,8-11,16-19H2/t21-,22-,25?
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| InChIKey |
MIJURWGAJOJXOR-RFJGZHNSSA-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