General Information of the Compound
| Compound ID |
CP0536405
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| Compound Name |
1-(N-benzyl-4-methoxyanilino)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C29H37N5O3
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| Molecular Weight |
503.647
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1ccccc1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C29H37N5O3/c1-36-26-15-13-25(14-16-26)34(23-24-9-4-3-5-10-24)31-29(35)30-17-8-18-32-19-21-33(22-20-32)27-11-6-7-12-28(27)37-2/h3-7,9-16H,8,17-23H2,1-2H3,(H2,30,31,35)
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| InChIKey |
LXIKJZDRBXJBAY-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
Protein ID: PT01161, D(4) dopamine receptor