General Information of the Compound
| Compound ID |
CP0432083
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| Compound Name |
2-benzyl-3-(4-methylpiperazin-1-yl)quinoxaline
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| Synonyms |
1001065-53-7
3-Benzyl-2-(4-methylpiperazinyl)-quinoxaline
AKOS016340709
BDBM50412496
CHEMBL261551
KS-00002WX1
MG-0235
MolPort-027-564-855
PQQUQVYOCGJWAX-UHFFFAOYSA-N
SCHEMBL602972
VUF 10148
VUF-10148
ZINC29054164
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| Structure |
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| Formula |
C20H22N4
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| Molecular Weight |
318.424
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| Canonical SMILES |
CN1CCN(CC1)c1nc2ccccc2nc1Cc1ccccc1
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| InChI |
InChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-19(15-16-7-3-2-4-8-16)21-17-9-5-6-10-18(17)22-20/h2-10H,11-15H2,1H3
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| InChIKey |
PQQUQVYOCGJWAX-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound