General Information of the Compound
Compound ID
CP0392794
Compound Name
(S)-6-Amino-2-((S)-2-amino-3-carboxy-propionylamino)-hexanoic acid
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Structure
Formula
C10H19N3O5
Molecular Weight
261.278
Canonical SMILES
NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O
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InChI
InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1
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InChIKey
OAMLVOVXNKILLQ-BQBZGAKWSA-N
Physicochemical Property
logP
-1.5132
Rotatable Bonds
9
Heavy Atom Count
18
Polar Areas
155.74
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
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: 6427003
SID: 87228952
ChEMBL ID
CHEMBL66839
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: PT05412, Solute carrier family 15 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 8000 nM
   TI
   LI
   LO
   TS