General Information of the Compound
| Compound ID |
CP0486279
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| Compound Name |
[(1S,2S)-2-(5-prop-2-enoxy-1-benzofuran-4-yl)cyclopropyl]methanamine;hydrochloride
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| Formula |
C15H18ClNO2
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| Molecular Weight |
279.767
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| Canonical SMILES |
Cl.NC[C@H]1C[C@@H]1c1c(OCC=C)ccc2occc12
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| InChI |
InChI=1S/C15H17NO2.ClH/c1-2-6-17-14-4-3-13-11(5-7-18-13)15(14)12-8-10(12)9-16;/h2-5,7,10,12H,1,6,8-9,16H2;1H/t10-,12+;/m1./s1
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| InChIKey |
CSTYJUKZFXDVEQ-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