General Information of the Compound
| Compound ID |
CP0142592
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| Compound Name |
2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#N)CC1
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| InChI |
InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)28-16-14-27(15-17-28)11-4-5-12-29-13-10-21-18-20(19-26)8-9-22(21)25(29)30/h2-3,6-9,18H,4-5,10-17H2,1H3
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| InChIKey |
UAORLSRHSCKPEH-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