General Information of the Compound
| Compound ID |
CP0420769
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| Compound Name |
4-[3-[4-[1-[(E)-4-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propyl]morpholine
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| Structure |
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| Formula |
C44H50N6O4
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| Molecular Weight |
726.922
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| Canonical SMILES |
C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCOCC2)cc1)CN1CCOCC1
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| InChI |
InChI=1S/C44H50N6O4/c1-3-11-41-39(9-1)45-43(35-13-17-37(18-14-35)53-29-7-21-47-25-31-51-32-26-47)49(41)23-5-6-24-50-42-12-4-2-10-40(42)46-44(50)36-15-19-38(20-16-36)54-30-8-22-48-27-33-52-34-28-48/h1-6,9-20H,7-8,21-34H2/b6-5+
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| InChIKey |
CQTGVKLTMSDNTL-AATRIKPKSA-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