General Information of the Compound
| Compound ID |
CP0489220
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| Compound Name |
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 3-[1-[2-[2-[2-[2-[2-[4-[3-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoate
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| Structure |
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| Formula |
C62H74Cl2F2N8O10
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| Molecular Weight |
1200.222
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C62H74Cl2F2N8O10/c63-51-13-9-49(10-14-51)61(25-31-71(32-26-61)29-1-3-57(75)47-5-17-53(65)18-6-47)83-59(77)23-21-55-45-73(69-67-55)35-37-79-39-41-81-43-44-82-42-40-80-38-36-74-46-56(68-70-74)22-24-60(78)84-62(50-11-15-52(64)16-12-50)27-33-72(34-28-62)30-2-4-58(76)48-7-19-54(66)20-8-48/h5-20,45-46H,1-4,21-44H2
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| InChIKey |
VCSXUTPJFQYQHZ-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