General Information of the Compound
| Compound ID |
CP0393636
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide
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| Structure |
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| Formula |
C54H76N6O10
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| Molecular Weight |
969.234
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
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| InChI |
InChI=1S/C54H76N6O10/c1-63-51-11-5-3-9-49(51)59-29-25-57(26-30-59)23-7-21-55-53(61)47-17-13-45(14-18-47)43-69-41-39-67-37-35-65-33-34-66-36-38-68-40-42-70-44-46-15-19-48(20-16-46)54(62)56-22-8-24-58-27-31-60(32-28-58)50-10-4-6-12-52(50)64-2/h3-6,9-20H,7-8,21-44H2,1-2H3,(H,55,61)(H,56,62)
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| InChIKey |
OBFPDOMCBFUMBH-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