General Information of the Compound
| Compound ID |
CP0417179
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| Compound Name |
(6aR)-4-[(4-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
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| Structure |
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| Formula |
C18H20FN3
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| Molecular Weight |
297.377
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| Canonical SMILES |
Fc1ccc(Cc2ccnc3N4CCNC[C@H]4CCc23)cc1
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| InChI |
InChI=1S/C18H20FN3/c19-15-3-1-13(2-4-15)11-14-7-8-21-18-17(14)6-5-16-12-20-9-10-22(16)18/h1-4,7-8,16,20H,5-6,9-12H2/t16-/m1/s1
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| InChIKey |
PUZQIEAXLJCDIM-MRXNPFEDSA-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