General Information of the Compound
| Compound ID |
CP0407979
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| Compound Name |
(2S)-2-amino-4-[bis[[2-[(3-chlorophenyl)methoxy]phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C32H32Cl2N2O4
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| Molecular Weight |
579.524
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| Canonical SMILES |
N[C@@H](CCN(Cc1ccccc1OCc1cccc(Cl)c1)Cc1ccccc1OCc1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C32H32Cl2N2O4/c33-27-11-5-7-23(17-27)21-39-30-13-3-1-9-25(30)19-36(16-15-29(35)32(37)38)20-26-10-2-4-14-31(26)40-22-24-8-6-12-28(34)18-24/h1-14,17-18,29H,15-16,19-22,35H2,(H,37,38)/t29-/m0/s1
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| InChIKey |
SONVGYSMKYWPIC-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)