General Information of the Compound
Compound ID |
CP0477749
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Compound Name |
(2S)-2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]propanamide;hydrochloride
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Structure |
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Formula |
C17H21ClN2O3
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Molecular Weight |
336.819
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Canonical SMILES |
Cl.COc1ccccc1Oc1ccc(CNC(=O)[C@H](C)N)cc1
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InChI |
InChI=1S/C17H20N2O3.ClH/c1-12(18)17(20)19-11-13-7-9-14(10-8-13)22-16-6-4-3-5-15(16)21-2;/h3-10,12H,11,18H2,1-2H3,(H,19,20);1H/t12-;/m0./s1
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InChIKey |
WFMFJQVDYBWLAY-YDALLXLXSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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