General Information of the Compound
| Compound ID |
CP0407978
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| Compound Name |
(2S)-2-amino-4-[bis[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C32H32F2N2O4
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| Molecular Weight |
546.614
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| Canonical SMILES |
N[C@@H](CCN(Cc1ccccc1OCc1ccccc1F)Cc1ccccc1OCc1ccccc1F)C(O)=O
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| InChI |
InChI=1S/C32H32F2N2O4/c33-27-13-5-1-11-25(27)21-39-30-15-7-3-9-23(30)19-36(18-17-29(35)32(37)38)20-24-10-4-8-16-31(24)40-22-26-12-2-6-14-28(26)34/h1-16,29H,17-22,35H2,(H,37,38)/t29-/m0/s1
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| InChIKey |
KQUJLMQZLYSIQA-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)