General Information of the Compound
| Compound ID |
CP0455123
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| Compound Name |
N,N-diethyl-3-[4-[1-[(E)-4-[2-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
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| Structure |
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| Formula |
C50H57N7O2
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| Molecular Weight |
788.053
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C50H57N7O2/c1-3-53(4-2)30-14-38-58-43-26-22-40(23-27-43)49-51-45-18-8-10-20-47(45)56(49)32-12-13-33-57-48-21-11-9-19-46(48)52-50(57)41-24-28-44(29-25-41)59-39-15-31-54-34-36-55(37-35-54)42-16-6-5-7-17-42/h5-13,16-29H,3-4,14-15,30-39H2,1-2H3/b13-12+
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| InChIKey |
FHMWRCSIRLHLAI-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