General Information of the Compound
Compound ID
CP0554909
Compound Name
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid
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Structure
Formula
C15H18N2O3
Molecular Weight
274.32
Canonical SMILES
OC(=O)CNC(=O)Nc1c2CCCc2cc2CCCc12
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InChI
InChI=1S/C15H18N2O3/c18-13(19)8-16-15(20)17-14-11-5-1-3-9(11)7-10-4-2-6-12(10)14/h7H,1-6,8H2,(H,18,19)(H2,16,17,20)
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InChIKey
FYUWBHIHISXZDP-UHFFFAOYSA-N
Physicochemical Property
logP
1.8701
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 146503716
ChEMBL ID
CHEMBL4785852
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: PT03614, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 > 20000 nM
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   LI
   LO
   TS