General Information of the Compound
| Compound ID |
CP0450837
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| Compound Name |
2-[[(2S)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-4-methoxy-4-oxobutan-2-yl]-methylamino]acetic acid
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| Structure |
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| Formula |
C21H24ClNO5
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| Molecular Weight |
405.878
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| Canonical SMILES |
COC(=O)C[C@H](Cc1ccc(OCc2cccc(Cl)c2)cc1)N(C)CC(O)=O
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| InChI |
InChI=1S/C21H24ClNO5/c1-23(13-20(24)25)18(12-21(26)27-2)11-15-6-8-19(9-7-15)28-14-16-4-3-5-17(22)10-16/h3-10,18H,11-14H2,1-2H3,(H,24,25)/t18-/m0/s1
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| InChIKey |
SOLILULDKXRRLT-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