General Information of the Compound
| Compound ID |
CP0006108
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| Compound Name |
N-[5-[10-[4-[[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]methyl]triazol-1-yl]decyl-methylamino]pentyl]-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 |
C51H69N9O5S
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| Molecular Weight |
920.238
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc4cncc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)
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| InChIKey |
HWAXOXRRJFJRSF-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