General Information of the Compound
| Compound ID |
CP0439903
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| Compound Name |
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methoxyphenyl)propan-1-ol
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| Structure |
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
COc1ccc(cc1)C(O)CCN1CCC(Cc2ccccc2)=CC1
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| InChI |
InChI=1S/C22H27NO2/c1-25-21-9-7-20(8-10-21)22(24)13-16-23-14-11-19(12-15-23)17-18-5-3-2-4-6-18/h2-11,22,24H,12-17H2,1H3
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| InChIKey |
PQGQRUUEBWORMY-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