General Information of the Compound
| Compound ID |
CP0536455
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| Compound Name |
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-[2-(hydroxymethyl)pyrrolidin-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.OCC1CCCN1CC(=O)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C22H33N3O3.2ClH/c26-16-19-5-2-12-25(19)15-22(27)23-17-6-8-20(9-7-17)28-21-10-13-24(14-11-21)18-3-1-4-18;;/h6-9,18-19,21,26H,1-5,10-16H2,(H,23,27);2*1H
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| InChIKey |
QEVNFNUHKCVNTB-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