General Information of the Compound
| Compound ID |
CP0363682
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| Compound Name |
N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C29H34N2O2
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| Molecular Weight |
442.603
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| Canonical SMILES |
COc1cccc2CC(CCc12)N(C)CCCCNC(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C29H34N2O2/c1-31(26-17-18-27-25(21-26)11-8-12-28(27)33-2)20-7-6-19-30-29(32)24-15-13-23(14-16-24)22-9-4-3-5-10-22/h3-5,8-16,26H,6-7,17-21H2,1-2H3,(H,30,32)
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| InChIKey |
FOYUWODSNRINIS-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