General Information of the Compound
| Compound ID |
CP0421273
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| Compound Name |
(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine
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| Structure |
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| Formula |
C13H19NO2
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| Molecular Weight |
221.3
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| Canonical SMILES |
CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N
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| InChI |
InChI=1S/C13H19NO2/c1-4-11-10-7-9(15-3)5-6-12(10)16-8-13(11,2)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1
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| InChIKey |
QTKHCKFFZZANPG-WCQYABFASA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1