General Information of the Compound
| Compound ID |
CP0505180
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| Compound Name |
(3-{4-[1-(6-{2-[4-(3-Diethylamino-propoxy)-phenyl]-benzoimidazol-1-yl}-hexyl)-1H-benzoimidazol-2-yl]-phenoxy}-propyl)-diethyl-amine
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| Structure |
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| Formula |
C46H60N6O2
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| Molecular Weight |
729.026
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1CCCCCCn1c(nc2ccccc12)-c1ccc(OCCCN(CC)CC)cc1
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| InChI |
InChI=1S/C46H60N6O2/c1-5-49(6-2)31-17-35-53-39-27-23-37(24-28-39)45-47-41-19-11-13-21-43(41)51(45)33-15-9-10-16-34-52-44-22-14-12-20-42(44)48-46(52)38-25-29-40(30-26-38)54-36-18-32-50(7-3)8-4/h11-14,19-30H,5-10,15-18,31-36H2,1-4H3
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| InChIKey |
CHBCJGRXRVEKLM-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