General Information of the Compound
| Compound ID |
CP0393676
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
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| Structure |
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| Formula |
C62H92N6O13
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| Molecular Weight |
1129.447
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
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| InChI |
InChI=1S/C62H92N6O13/c1-71-59-13-5-3-11-57(59)67-31-27-65(28-32-67)25-9-7-23-63-61(69)55-19-15-53(16-20-55)51-80-49-47-78-45-43-76-41-39-74-37-35-73-36-38-75-40-42-77-44-46-79-48-50-81-52-54-17-21-56(22-18-54)62(70)64-24-8-10-26-66-29-33-68(34-30-66)58-12-4-6-14-60(58)72-2/h3-6,11-22H,7-10,23-52H2,1-2H3,(H,63,69)(H,64,70)
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| InChIKey |
AMKQYZPSQCPQGB-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