General Information of the Compound
| Compound ID |
CP0079873
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| Compound Name |
N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C31H38N2O2
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| Molecular Weight |
470.657
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OC
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| InChI |
InChI=1S/C31H38N2O2/c1-3-21-33(28-18-19-29-27(23-28)12-9-13-30(29)35-2)22-8-7-20-32-31(34)26-16-14-25(15-17-26)24-10-5-4-6-11-24/h4-6,9-17,28H,3,7-8,18-23H2,1-2H3,(H,32,34)
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| InChIKey |
LVSUPYDDQCSHAN-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