General Information of the Compound
| Compound ID |
CP0014446
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| Compound Name |
N-[2-[2-[2-[2-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-3-yl]oxyacetamide
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| Structure |
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| Formula |
C43H52N8O8S
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| Molecular Weight |
841.004
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCOCCOCCOCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C43H52N8O8S/c1-33-46-36(32-60-33)10-8-34-24-38(27-44-26-34)58-31-43(52)45-12-18-55-20-22-57-23-21-56-19-17-51-29-37(47-48-51)30-59-41-11-9-35(25-42(41)54-3)28-49-13-15-50(16-14-49)39-6-4-5-7-40(39)53-2/h4-7,9,11,24-27,29,32H,12-23,28,30-31H2,1-3H3,(H,45,52)
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| InChIKey |
SIMRHOCKDXANLH-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: PT00854, Metabotropic glutamate receptor 5