General Information of the Compound
| Compound ID |
CP0553765
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| Compound Name |
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-(4-hydroxypiperidin-1-yl)acetamide;dihydrochloride
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| Structure |
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| Formula |
C22H35Cl2N3O3
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| Molecular Weight |
460.446
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| Canonical SMILES |
Cl.Cl.OC1CCN(CC(=O)Nc2ccc(OC3CCN(CC3)C3CCC3)cc2)CC1
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| InChI |
InChI=1S/C22H33N3O3.2ClH/c26-19-8-12-24(13-9-19)16-22(27)23-17-4-6-20(7-5-17)28-21-10-14-25(15-11-21)18-2-1-3-18;;/h4-7,18-19,21,26H,1-3,8-16H2,(H,23,27);2*1H
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| InChIKey |
PHFRMTUBILLDPZ-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