General Information of the Compound
| Compound ID |
CP0486859
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| Compound Name |
[(1S,2S)-2-[5-(2-fluoroethoxy)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methanamine;hydrochloride
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| Formula |
C14H19ClFNO2
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| Molecular Weight |
287.762
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| Canonical SMILES |
Cl.NC[C@H]1C[C@@H]1c1c2CCOc2ccc1OCCF
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| InChI |
InChI=1S/C14H18FNO2.ClH/c15-4-6-18-13-2-1-12-10(3-5-17-12)14(13)11-7-9(11)8-16;/h1-2,9,11H,3-8,16H2;1H/t9-,11+;/m1./s1
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| InChIKey |
WGICPLUIQIXVNT-XQKZEKTMSA-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