General Information of the Compound
| Compound ID |
CP0405619
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| Compound Name |
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-[(E)-4-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazole
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| Synonyms |
164917-23-1
PD-152255
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| Structure |
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| Formula |
C46H54N6O2
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| Molecular Weight |
722.978
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| Canonical SMILES |
C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C46H54N6O2/c1-7-27-49(28-8-1)31-13-35-53-39-23-19-37(20-24-39)45-47-41-15-3-5-17-43(41)51(45)33-11-12-34-52-44-18-6-4-16-42(44)48-46(52)38-21-25-40(26-22-38)54-36-14-32-50-29-9-2-10-30-50/h3-6,11-12,15-26H,1-2,7-10,13-14,27-36H2/b12-11+
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| InChIKey |
RTRBUDIKCGJLKP-VAWYXSNFSA-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
Clinical Information about the Compound