General Information of the Compound
| Compound ID |
CP0452058
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| Compound Name |
(5aR)-8-methoxy-1,2,3,4,5,5a,6,7-octahydro-[1,4]diazepino[1,2-a]quinoline
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| Structure |
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| Formula |
C14H20N2O
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| Molecular Weight |
232.327
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| Canonical SMILES |
COc1cccc2N3CCCNC[C@H]3CCc12
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| InChI |
InChI=1S/C14H20N2O/c1-17-14-5-2-4-13-12(14)7-6-11-10-15-8-3-9-16(11)13/h2,4-5,11,15H,3,6-10H2,1H3/t11-/m1/s1
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| InChIKey |
AMAODCYTBRQIQI-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C