General Information of the Compound
Compound ID
CP0503942
Compound Name
(2S)-5-amino-2-[[(2S)-5-amino-2-azaniumyl-5-oxopentanoyl]amino]-5-oxopentanoate
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Structure
Formula
C10H18N4O5
Molecular Weight
274.277
Canonical SMILES
N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
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InChI
InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1
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InChIKey
LOJYQMFIIJVETK-WDSKDSINSA-N
Physicochemical Property
logP
-2.5859
Rotatable Bonds
9
Heavy Atom Count
19
Polar Areas
178.6
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 7010588
SID: 14824231
ChEMBL ID
CHEMBL438960
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: PT02822, Solute carrier family 15 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 100000 nM
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