General Information of the Compound
| Compound ID |
CP0442287
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| Compound Name |
(3-{4-[1-((E)-4-{2-[4-(3-Dimethylamino-propoxy)-phenyl]-benzoimidazol-1-yl}-but-2-enyl)-1H-benzoimidazol-2-yl]-phenoxy}-propyl)-dimethyl-amine
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| Structure |
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| Formula |
C40H46N6O2
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| Molecular Weight |
642.848
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| Canonical SMILES |
CN(C)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN(C)C)cc1
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| InChI |
InChI=1S/C40H46N6O2/c1-43(2)25-11-29-47-33-21-17-31(18-22-33)39-41-35-13-5-7-15-37(35)45(39)27-9-10-28-46-38-16-8-6-14-36(38)42-40(46)32-19-23-34(24-20-32)48-30-12-26-44(3)4/h5-10,13-24H,11-12,25-30H2,1-4H3/b10-9+
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| InChIKey |
QSZLXCAZDSBUTB-MDZDMXLPSA-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