General Information of the Compound
| Compound ID |
CP0396443
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| Compound Name |
(11aR)-6-oxo-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinoline-8-carbonitrile
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| Structure |
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| Formula |
C13H13N3O
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| Molecular Weight |
227.267
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| Canonical SMILES |
O=C1N2CCNC[C@H]2Cc2ccc(cc12)C#N
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| InChI |
InChI=1S/C13H13N3O/c14-7-9-1-2-10-6-11-8-15-3-4-16(11)13(17)12(10)5-9/h1-2,5,11,15H,3-4,6,8H2/t11-/m1/s1
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| InChIKey |
LCSJDSADPYDRJY-LLVKDONJSA-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