General Information of the Compound
| Compound ID |
CP0421398
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| Compound Name |
3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCc2c[nH]c3ncccc23)CC1
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| InChI |
InChI=1S/C20H24N4O/c1-25-18-6-4-17(5-7-18)24-13-11-23(12-14-24)10-8-16-15-22-20-19(16)3-2-9-21-20/h2-7,9,15H,8,10-14H2,1H3,(H,21,22)
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| InChIKey |
DUTVAWSMMMBCQT-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
Protein ID: PT01161, D(4) dopamine receptor