General Information of the Compound
| Compound ID |
CP0518538
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| Compound Name |
2-[[(2S)-4-methoxy-4-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]-methylamino]acetic acid
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| Structure |
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| Formula |
C21H25NO5
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| Molecular Weight |
371.433
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| Canonical SMILES |
COC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)CC(O)=O
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| InChI |
InChI=1S/C21H25NO5/c1-22(14-20(23)24)18(13-21(25)26-2)12-16-8-10-19(11-9-16)27-15-17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3,(H,23,24)/t18-/m0/s1
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| InChIKey |
RESRLMJSUFWZIS-SFHVURJKSA-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