General Information of the Compound
| Compound ID |
CP0885774
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| Compound Name |
1-[4-(4-Azepan-1-ylmethyl-benzyloxy)-phenyl]-ethanone hydrochloride
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| Structure |
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| Formula |
C22H28ClNO2
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| Molecular Weight |
373.924
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| Canonical SMILES |
CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1.Cl
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| InChI |
InChI=1S/C22H27NO2.ClH/c1-18(24)21-10-12-22(13-11-21)25-17-20-8-6-19(7-9-20)16-23-14-4-2-3-5-15-23;/h6-13H,2-5,14-17H2,1H3;1H
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| InChIKey |
JTIIPPNQSNPJSH-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