General Information of the Compound
Compound ID
CP0554686
Compound Name
(2R)-2-amino-3-[4-chloro-3-(3-hydroxyphenyl)phenyl]propanoic acid
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Structure
Formula
C15H14ClNO3
Molecular Weight
291.734
Canonical SMILES
N[C@H](Cc1ccc(Cl)c(c1)-c1cccc(O)c1)C(O)=O
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InChI
InChI=1S/C15H14ClNO3/c16-13-5-4-9(7-14(17)15(19)20)6-12(13)10-2-1-3-11(18)8-10/h1-6,8,14,18H,7,17H2,(H,19,20)/t14-/m1/s1
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InChIKey
DSEZNOSITRSTCW-CQSZACIVSA-N
Physicochemical Property
logP
2.667
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
83.55
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 145973268
ChEMBL ID
CHEMBL4216018
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: PT01414, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 21900 nM
   TI
   LI
   LO
   TS
Protein ID: PT03116, Glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS