General Information of the Compound
| Compound ID |
CP0505181
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| Compound Name |
(3-{4-[1-((E)-4-{2-[4-(3-Dipropylamino-propoxy)-phenyl]-benzoimidazol-1-yl}-but-2-enyl)-1H-benzoimidazol-2-yl]-phenoxy}-propyl)-dipropyl-amine
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| Structure |
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| Formula |
C48H62N6O2
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| Molecular Weight |
755.064
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| Canonical SMILES |
CCCN(CCC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN(CCC)CCC)cc1
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| InChI |
InChI=1S/C48H62N6O2/c1-5-29-51(30-6-2)33-15-37-55-41-25-21-39(22-26-41)47-49-43-17-9-11-19-45(43)53(47)35-13-14-36-54-46-20-12-10-18-44(46)50-48(54)40-23-27-42(28-24-40)56-38-16-34-52(31-7-3)32-8-4/h9-14,17-28H,5-8,15-16,29-38H2,1-4H3/b14-13+
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| InChIKey |
IKMVUGGIEHIWKD-BUHFOSPRSA-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