General Information of the Compound
| Compound ID |
CP0254917
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| Compound Name |
2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C23H23NO
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| Molecular Weight |
329.443
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| Canonical SMILES |
C(Oc1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1
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| InChI |
InChI=1S/C23H23NO/c1-2-6-20(7-3-1)18-25-23-12-10-19(11-13-23)16-24-15-14-21-8-4-5-9-22(21)17-24/h1-13H,14-18H2
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| InChIKey |
DHGHDLRMOGDQNY-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