General Information of the Compound
| Compound ID |
CP0431087
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-[2-[2-[2-[2-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]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 |
C52H68N10O9
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| Molecular Weight |
977.177
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
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| InChI |
InChI=1S/C52H68N10O9/c1-65-49-11-5-3-9-45(49)59-25-21-57(22-26-59)17-7-15-53-51(63)43-39-55-61-19-13-41(37-47(43)61)70-35-33-68-31-29-67-30-32-69-34-36-71-42-14-20-62-48(38-42)44(40-56-62)52(64)54-16-8-18-58-23-27-60(28-24-58)46-10-4-6-12-50(46)66-2/h3-6,9-14,19-20,37-40H,7-8,15-18,21-36H2,1-2H3,(H,53,63)(H,54,64)
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| InChIKey |
SKOOZXVTNXFHFP-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