General Information of the Compound
| Compound ID |
CP0453958
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| Compound Name |
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylquinoxaline-2-carboxamide
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1
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| InChI |
InChI=1S/C27H28N6O2/c1-35-25-11-5-4-10-24(25)32-17-14-31(15-18-32)16-19-33(26-12-6-7-13-28-26)27(34)23-20-29-21-8-2-3-9-22(21)30-23/h2-13,20H,14-19H2,1H3
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| InChIKey |
WMHMRZFMWZZEED-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01161, D(4) dopamine receptor