General Information of the Compound
| Compound ID |
CP0505107
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| Compound Name |
N-butyl-N-[3-[4-[1-[(E)-4-[2-[4-[3-(dibutylamino)propoxy]phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propyl]butan-1-amine
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| Structure |
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| Formula |
C52H70N6O2
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| Molecular Weight |
811.172
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| Canonical SMILES |
CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN(CCCC)CCCC)cc1
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| InChI |
InChI=1S/C52H70N6O2/c1-5-9-33-55(34-10-6-2)37-19-41-59-45-29-25-43(26-30-45)51-53-47-21-13-15-23-49(47)57(51)39-17-18-40-58-50-24-16-14-22-48(50)54-52(58)44-27-31-46(32-28-44)60-42-20-38-56(35-11-7-3)36-12-8-4/h13-18,21-32H,5-12,19-20,33-42H2,1-4H3/b18-17+
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| InChIKey |
JIKDWCBMJVTCCZ-ISLYRVAYSA-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