General Information of the Compound
| Compound ID |
CP0372555
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
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| Structure |
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| Formula |
C52H72N6O9
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| Molecular Weight |
925.181
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
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| InChI |
InChI=1S/C52H72N6O9/c1-61-49-11-5-3-9-47(49)57-29-25-55(26-30-57)23-7-21-53-51(59)45-17-13-43(14-18-45)41-66-39-37-64-35-33-63-34-36-65-38-40-67-42-44-15-19-46(20-16-44)52(60)54-22-8-24-56-27-31-58(32-28-56)48-10-4-6-12-50(48)62-2/h3-6,9-20H,7-8,21-42H2,1-2H3,(H,53,59)(H,54,60)
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| InChIKey |
LLJNHDOQJFYFCL-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