General Information of the Compound
| Compound ID |
CP0788275
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| Compound Name |
N-(3-chloro-4-(4-(3-methoxypicolinoyl)piperazin-1-yl)phenyl)-2-methyl-2-phenylpropanamide Hydrochloride salt
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| Structure |
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| Formula |
C27H30Cl2N4O3
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| Molecular Weight |
529.468
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| Canonical SMILES |
COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1.Cl
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| InChI |
InChI=1S/C27H29ClN4O3.ClH/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24;/h4-13,18H,14-17H2,1-3H3,(H,30,34);1H
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| InChIKey |
INSLEXDINMBLIJ-UHFFFAOYSA-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: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01795, Neuropeptide Y receptor type 5