General Information of the Compound
| Compound ID |
CP0474641
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| Compound Name |
(2S)-2-amino-4-[bis[[2-(pyridin-2-ylmethoxy)phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C30H32N4O4
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| Molecular Weight |
512.61
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| Canonical SMILES |
N[C@@H](CCN(Cc1ccccc1OCc1ccccn1)Cc1ccccc1OCc1ccccn1)C(O)=O
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| InChI |
InChI=1S/C30H32N4O4/c31-27(30(35)36)15-18-34(19-23-9-1-3-13-28(23)37-21-25-11-5-7-16-32-25)20-24-10-2-4-14-29(24)38-22-26-12-6-8-17-33-26/h1-14,16-17,27H,15,18-22,31H2,(H,35,36)/t27-/m0/s1
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| InChIKey |
VQPJHLGKMCPCQB-MHZLTWQESA-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)