General Information of the Compound
| Compound ID |
CP0382590
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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]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
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| Structure |
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| Formula |
C54H72N10O9
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| Molecular Weight |
1005.231
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
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| InChI |
InChI=1S/C54H72N10O9/c1-67-51-13-5-3-11-47(51)61-27-23-59(24-28-61)19-9-7-17-55-53(65)45-41-57-63-21-15-43(39-49(45)63)72-37-35-70-33-31-69-32-34-71-36-38-73-44-16-22-64-50(40-44)46(42-58-64)54(66)56-18-8-10-20-60-25-29-62(30-26-60)48-12-4-6-14-52(48)68-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38H2,1-2H3,(H,55,65)(H,56,66)
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| InChIKey |
OSAOKFNDHSEFAK-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