General Information of the Compound
| Compound ID |
CP0502796
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| Compound Name |
(3-{4-[1-(4-{2-[4-(3-Diethylamino-propoxy)-phenyl]-benzoimidazol-1-ylmethyl}-benzyl)-1H-benzoimidazol-2-yl]-phenoxy}-propyl)-diethyl-amine
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| Structure |
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| Formula |
C48H56N6O2
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| Molecular Weight |
749.016
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1Cc1ccc(Cn2c(nc3ccccc23)-c2ccc(OCCCN(CC)CC)cc2)cc1
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| InChI |
InChI=1S/C48H56N6O2/c1-5-51(6-2)31-13-33-55-41-27-23-39(24-28-41)47-49-43-15-9-11-17-45(43)53(47)35-37-19-21-38(22-20-37)36-54-46-18-12-10-16-44(46)50-48(54)40-25-29-42(30-26-40)56-34-14-32-52(7-3)8-4/h9-12,15-30H,5-8,13-14,31-36H2,1-4H3
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| InChIKey |
KILHLNJNPKNQHO-UHFFFAOYSA-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