General Information of the Compound
| Compound ID |
CP0487619
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| Compound Name |
2-[methyl-[(2R)-1-[4-[(3-nitrophenyl)methoxy]phenyl]propan-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C19H22N2O5
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| Molecular Weight |
358.394
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| Canonical SMILES |
C[C@H](Cc1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)N(C)CC(O)=O
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| InChI |
InChI=1S/C19H22N2O5/c1-14(20(2)12-19(22)23)10-15-6-8-18(9-7-15)26-13-16-4-3-5-17(11-16)21(24)25/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1
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| InChIKey |
XFBDBOZLYWHENT-CQSZACIVSA-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B