General Information of the Compound
| Compound ID |
CP0456517
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| Compound Name |
(2S)-2-amino-4-[bis[[2-[(2-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
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| Structure |
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| Formula |
C34H38N2O4
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| Molecular Weight |
538.688
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| Canonical SMILES |
Cc1ccccc1COc1ccccc1CN(CC[C@H](N)C(O)=O)Cc1ccccc1OCc1ccccc1C
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| InChI |
InChI=1S/C34H38N2O4/c1-25-11-3-5-15-29(25)23-39-32-17-9-7-13-27(32)21-36(20-19-31(35)34(37)38)22-28-14-8-10-18-33(28)40-24-30-16-6-4-12-26(30)2/h3-18,31H,19-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
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| InChIKey |
SAOIMXXQDOZOLG-HKBQPEDESA-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)