General Information of the Compound
| Compound ID |
CP0440817
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| Compound Name |
4-[3-[1-[8-[4-[3-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]-2-methoxyphenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]-3-methoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C65H91N11O7
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| Molecular Weight |
1138.513
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(OCCCc2cn(CCCCCCCCn3cc(CCCOc4ccc(cc4OC)C(=O)NCCCCN4CCN(CC4)c4ccccc4OC)nn3)nn2)c(OC)c1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C65H91N11O7/c1-5-34-73(57-45-51-22-10-11-23-52(51)46-57)36-19-15-33-67-65(78)54-29-31-61(63(48-54)81-4)83-44-21-25-56-50-76(71-69-56)38-17-9-7-6-8-16-37-75-49-55(68-70-75)24-20-43-82-60-30-28-53(47-62(60)80-3)64(77)66-32-14-18-35-72-39-41-74(42-40-72)58-26-12-13-27-59(58)79-2/h10-13,22-23,26-31,47-50,57H,5-9,14-21,24-25,32-46H2,1-4H3,(H,66,77)(H,67,78)
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| InChIKey |
PGCKDCUFJMOFOO-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