General Information of the Compound
| Compound ID |
CP0467111
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| Compound Name |
3-(4-Benzyloxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
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| Structure |
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| Formula |
C31H37N3O3
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| Molecular Weight |
499.655
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C31H37N3O3/c1-36-30-12-6-5-11-29(30)34-23-21-33(22-24-34)20-8-7-19-32-31(35)18-15-26-13-16-28(17-14-26)37-25-27-9-3-2-4-10-27/h2-6,9-18H,7-8,19-25H2,1H3,(H,32,35)/b18-15+
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| InChIKey |
HUKNOHADSBATLH-OBGWFSINSA-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