General Information of the Compound
| Compound ID |
CP0493739
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| Compound Name |
(2S)-2-amino-4-[bis[[2-(3-methoxyphenoxy)phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C32H34N2O6
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| Molecular Weight |
542.632
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| Canonical SMILES |
COc1cccc(Oc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2Oc2cccc(OC)c2)c1
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| InChI |
InChI=1S/C32H34N2O6/c1-37-25-11-7-13-27(19-25)39-30-15-5-3-9-23(30)21-34(18-17-29(33)32(35)36)22-24-10-4-6-16-31(24)40-28-14-8-12-26(20-28)38-2/h3-16,19-20,29H,17-18,21-22,33H2,1-2H3,(H,35,36)/t29-/m0/s1
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| InChIKey |
HONXILKYOFNTMF-LJAQVGFWSA-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: PT00623, Amino acid transporter
Protein ID: PT03927, Neutral amino acid transporter B(0)