General Information of the Compound
| Compound ID |
CP0393675
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| Compound Name |
N-[4-[4-[4-[2-[2-[2-[2-[[4-[4-(4-benzamidobutyl)piperazin-1-yl]-3-methoxyphenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C54H76N6O9
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| Molecular Weight |
953.235
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| Canonical SMILES |
COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C54H76N6O9/c1-63-51-41-45(17-19-49(51)59-29-25-57(26-30-59)23-11-9-21-55-53(61)47-13-5-3-6-14-47)43-68-39-37-66-35-33-65-34-36-67-38-40-69-44-46-18-20-50(52(42-46)64-2)60-31-27-58(28-32-60)24-12-10-22-56-54(62)48-15-7-4-8-16-48/h3-8,13-20,41-42H,9-12,21-40,43-44H2,1-2H3,(H,55,61)(H,56,62)
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| InChIKey |
BGMQCQHMPBHOMK-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