General Information of the Compound
| Compound ID |
CP0522316
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| Compound Name |
2-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-1-[(E)-4-[2-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazole
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| Structure |
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| Formula |
C56H60N8O2
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| Molecular Weight |
877.15
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| Canonical SMILES |
C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1)CN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C56H60N8O2/c1-3-15-47(16-4-1)61-39-35-59(36-40-61)31-13-43-65-49-27-23-45(24-28-49)55-57-51-19-7-9-21-53(51)63(55)33-11-12-34-64-54-22-10-8-20-52(54)58-56(64)46-25-29-50(30-26-46)66-44-14-32-60-37-41-62(42-38-60)48-17-5-2-6-18-48/h1-12,15-30H,13-14,31-44H2/b12-11+
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| InChIKey |
PDRHZVHAACZKMF-VAWYXSNFSA-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