General Information of the Compound
| Compound ID |
CP0503564
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| Compound Name |
2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-[(E)-4-[2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazole
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| Structure |
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| Formula |
C44H50N6O2
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| Molecular Weight |
694.924
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| Canonical SMILES |
C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1)CN1CCCC1
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| InChI |
InChI=1S/C44H50N6O2/c1-3-15-41-39(13-1)45-43(35-17-21-37(22-18-35)51-33-11-29-47-25-5-6-26-47)49(41)31-9-10-32-50-42-16-4-2-14-40(42)46-44(50)36-19-23-38(24-20-36)52-34-12-30-48-27-7-8-28-48/h1-4,9-10,13-24H,5-8,11-12,25-34H2/b10-9+
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| InChIKey |
APMOACCZLSVUQN-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