General Information of the Compound
| Compound ID |
CP0509143
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| Compound Name |
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C26H28N2O
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| Molecular Weight |
384.523
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| Canonical SMILES |
O=C(NCCCCN1CCc2ccccc2C1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H28N2O/c29-26(24-14-12-23(13-15-24)21-8-2-1-3-9-21)27-17-6-7-18-28-19-16-22-10-4-5-11-25(22)20-28/h1-5,8-15H,6-7,16-20H2,(H,27,29)
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| InChIKey |
IJPGGHONVGTCOX-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor