General Information of the Compound
| Compound ID |
CP0428642
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
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| Structure |
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| Formula |
C56H76N10O9
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| Molecular Weight |
1033.285
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
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| InChI |
InChI=1S/C56H76N10O9/c1-69-53-13-5-3-11-49(53)63-27-23-61(24-28-63)19-9-7-17-57-55(67)47-41-59-65-21-15-45(39-51(47)65)43-74-37-35-72-33-31-71-32-34-73-36-38-75-44-46-16-22-66-52(40-46)48(42-60-66)56(68)58-18-8-10-20-62-25-29-64(30-26-62)50-12-4-6-14-54(50)70-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38,43-44H2,1-2H3,(H,57,67)(H,58,68)
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| InChIKey |
XPOABVKSLRGZDM-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