General Information of the Compound
| Compound ID |
CP0056536
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| Compound Name |
N,N-dimethyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
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| Structure |
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| Formula |
C18H21N3
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| Molecular Weight |
279.387
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| Canonical SMILES |
CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1
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| InChI |
InChI=1S/C18H21N3/c1-21(2)10-7-15-11-14-5-3-4-6-17(14)18(15)12-16-13-19-8-9-20-16/h3-6,8-9,13H,7,10-12H2,1-2H3
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| InChIKey |
ZWZGWXZGAUJLHN-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2