General Information of the Compound
| Compound ID |
CP0489218
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| Compound Name |
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 3-[1-[8-[4-[3-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-3-oxopropyl]triazol-1-yl]octyl]triazol-4-yl]propanoate
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| Structure |
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| Formula |
C60H70Cl2F2N8O6
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| Molecular Weight |
1108.172
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCCCCCCCn2cc(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/C60H70Cl2F2N8O6/c61-49-19-15-47(16-20-49)59(31-39-69(40-32-59)35-7-9-55(73)45-11-23-51(63)24-12-45)77-57(75)29-27-53-43-71(67-65-53)37-5-3-1-2-4-6-38-72-44-54(66-68-72)28-30-58(76)78-60(48-17-21-50(62)22-18-48)33-41-70(42-34-60)36-8-10-56(74)46-13-25-52(64)26-14-46/h11-26,43-44H,1-10,27-42H2
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| InChIKey |
WUVVNDIQBGLCOQ-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