General Information of the Compound
| Compound ID |
CP0460211
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| Compound Name |
4-(4-(2-Methoxyphenyl)piperazin-1-yl)-N-(naphthalen-2-ylmethyl)-N-propylbutan-1-amine
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| Structure |
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| Formula |
C29H39N3O
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| Molecular Weight |
445.651
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| Canonical SMILES |
CCCN(CCCCN1CCN(CC1)c1ccccc1OC)Cc1ccc2ccccc2c1
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| InChI |
InChI=1S/C29H39N3O/c1-3-16-31(24-25-14-15-26-10-4-5-11-27(26)23-25)18-9-8-17-30-19-21-32(22-20-30)28-12-6-7-13-29(28)33-2/h4-7,10-15,23H,3,8-9,16-22,24H2,1-2H3
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| InChIKey |
PLFUSXITMGZVCU-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