General Information of the Compound
| Compound ID |
CP0442129
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| Compound Name |
(3-{4-[1-((E)-4-{2-[4-(3-Cyclohexyl-propoxy)-phenyl]-benzoimidazol-1-yl}-but-2-enyl)-1H-benzoimidazol-2-yl]-phenoxy}-propyl)-diethyl-amine
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| Structure |
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| Formula |
C46H55N5O2
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| Molecular Weight |
709.979
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCC2CCCCC2)cc1
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| InChI |
InChI=1S/C46H55N5O2/c1-3-49(4-2)31-15-35-53-40-29-25-38(26-30-40)46-48-42-20-9-11-22-44(42)51(46)33-13-12-32-50-43-21-10-8-19-41(43)47-45(50)37-23-27-39(28-24-37)52-34-14-18-36-16-6-5-7-17-36/h8-13,19-30,36H,3-7,14-18,31-35H2,1-2H3/b13-12+
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| InChIKey |
INHFSVLNFMQBGJ-OUKQBFOZSA-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