General Information of the Compound
| Compound ID |
CP0436549
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| Compound Name |
(4R,9aR)-6-[1-((R)-ethoxy)-ethyl]-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene
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| Structure |
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| Formula |
C15H23N3O
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| Molecular Weight |
261.369
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| Canonical SMILES |
CCO[C@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
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| InChI |
InChI=1S/C15H23N3O/c1-4-19-11(3)14-6-5-12-7-13-9-16-8-10(2)18(13)15(12)17-14/h5-6,10-11,13,16H,4,7-9H2,1-3H3/t10-,11-,13-/m1/s1
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| InChIKey |
OZKJKXGCRKEWKL-NQBHXWOUSA-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