General Information of the Compound
Compound ID
CP0386491
Compound Name
(2S)-2-amino-3-(3-phenylphenyl)propanoic acid
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Structure
Formula
C15H15NO2
Molecular Weight
241.29
Canonical SMILES
N[C@@H](Cc1cccc(c1)-c1ccccc1)C(O)=O
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InChI
InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
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InChIKey
XXPHIHDDXCFWMS-AWEZNQCLSA-N
Physicochemical Property
logP
2.308
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
63.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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).

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PubChem ID
CID: 10060246
SID: 15044495
ChEMBL ID
CHEMBL58129
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05556, Large neutral amino acids transporter small subunit 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 6600 nM
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