General Information of the Compound
| Compound ID |
CP0400541
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| Compound Name |
3-methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C64H90N12O8
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| Molecular Weight |
1155.5
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCCc3cn(CCCCCCCCn4cc(CCCOc5ccc(cc5OC)C(=O)NCCCCN5CCN(CC5)c5ccccc5OC)nn4)nn3)c(OC)c2)CC1
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| InChI |
InChI=1S/C64H90N12O8/c1-79-57-25-11-9-23-55(57)73-41-37-71(38-42-73)33-17-13-31-65-63(77)51-27-29-59(61(47-51)81-3)83-45-19-21-53-49-75(69-67-53)35-15-7-5-6-8-16-36-76-50-54(68-70-76)22-20-46-84-60-30-28-52(48-62(60)82-4)64(78)66-32-14-18-34-72-39-43-74(44-40-72)56-24-10-12-26-58(56)80-2/h9-12,23-30,47-50H,5-8,13-22,31-46H2,1-4H3,(H,65,77)(H,66,78)
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| InChIKey |
HOZYTVYXSUBCBF-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