General Information of the Compound
| Compound ID |
CP0429369
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| Compound Name |
2-[[(2S)-1-cyano-3-(4-phenylmethoxyphenyl)propan-2-yl]-methylamino]acetic acid
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
CN(CC(O)=O)[C@H](CC#N)Cc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C20H22N2O3/c1-22(14-20(23)24)18(11-12-21)13-16-7-9-19(10-8-16)25-15-17-5-3-2-4-6-17/h2-10,18H,11,13-15H2,1H3,(H,23,24)/t18-/m1/s1
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| InChIKey |
MXQFSEQRNBGCLA-GOSISDBHSA-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