General Information of the Compound
| Compound ID |
CP0487665
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| Compound Name |
[(1S,2S)-2-(2-ethyl-5-prop-2-enoxy-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride
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| Formula |
C17H22ClNO2
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| Molecular Weight |
307.821
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| Canonical SMILES |
Cl.CCc1cc2c([C@H]3C[C@@H]3CN)c(OCC=C)ccc2o1
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| InChI |
InChI=1S/C17H21NO2.ClH/c1-3-7-19-16-6-5-15-14(9-12(4-2)20-15)17(16)13-8-11(13)10-18;/h3,5-6,9,11,13H,1,4,7-8,10,18H2,2H3;1H/t11-,13+;/m1./s1
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| InChIKey |
UXEFZEYHZIIDPC-YLAFAASESA-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: PT02174, Melatonin receptor type 1B
Protein ID: PT00884, Sodium-dependent dopamine transporter