General Information of the Compound
| Compound ID |
CP0563029
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| Compound Name |
(2S)-2-amino-N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]propanamide;hydrochloride
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| Structure |
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| Formula |
C17H20ClFN2O2
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| Molecular Weight |
338.81
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| Canonical SMILES |
Cl.C[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1
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| InChI |
InChI=1S/C17H19FN2O2.ClH/c1-11-9-13(10-20-17(21)12(2)19)3-8-16(11)22-15-6-4-14(18)5-7-15;/h3-9,12H,10,19H2,1-2H3,(H,20,21);1H/t12-;/m0./s1
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| InChIKey |
IKCROSXEEYQDIR-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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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