General Information of the Compound
| Compound ID |
CP0471568
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| Compound Name |
[(1S,2S)-2-[2-ethyl-5-(2-fluoroethoxy)-1-benzofuran-4-yl]cyclopropyl]methanamine;hydrochloride
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| Formula |
C16H21ClFNO2
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| Molecular Weight |
313.8
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| Canonical SMILES |
Cl.CCc1cc2c([C@H]3C[C@@H]3CN)c(OCCF)ccc2o1
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| InChI |
InChI=1S/C16H20FNO2.ClH/c1-2-11-8-13-14(20-11)3-4-15(19-6-5-17)16(13)12-7-10(12)9-18;/h3-4,8,10,12H,2,5-7,9,18H2,1H3;1H/t10-,12+;/m1./s1
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| InChIKey |
ODNAZUDLMTZMNY-IYJPBCIQSA-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