General Information of the Compound
| Compound ID |
CP0425115
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| Compound Name |
(+/-)-7-nitrile-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
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| Structure |
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| Formula |
C12H11N3O
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| Molecular Weight |
213.24
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| Canonical SMILES |
O=C1N2CCNCC2c2cccc(C#N)c12
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| InChI |
InChI=1S/C12H11N3O/c13-6-8-2-1-3-9-10-7-14-4-5-15(10)12(16)11(8)9/h1-3,10,14H,4-5,7H2
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| InChIKey |
HFARURMVYRLLSP-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C