General Information of the Compound
| Compound ID |
CP0085944
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| Compound Name |
2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C24H32N2O
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| Molecular Weight |
364.533
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| Canonical SMILES |
C(COc1ccc(CN2CCc3ccccc3C2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C24H32N2O/c1-4-14-25(15-5-1)16-6-18-27-24-11-9-21(10-12-24)19-26-17-13-22-7-2-3-8-23(22)20-26/h2-3,7-12H,1,4-6,13-20H2
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| InChIKey |
IBEFILCHUHYSKH-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