General Information of the Compound
Compound ID
CP0410140
Compound Name
N-(2-hydroxyethyl)-2-imino-8-methoxychromene-3-carboxamide
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Structure
Formula
C13H14N2O4
Molecular Weight
262.265
Canonical SMILES
COc1cccc2cc(C(=O)NCCO)c(=N)oc12
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InChI
InChI=1S/C13H14N2O4/c1-18-10-4-2-3-8-7-9(12(14)19-11(8)10)13(17)15-5-6-16/h2-4,7,14,16H,5-6H2,1H3,(H,15,17)
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InChIKey
SHVPBAOXUMSRAV-UHFFFAOYSA-N
Physicochemical Property
logP
0.64297
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
95.55
Hydrogen Bond Donor Count
3
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: 70694477
ChEMBL ID
CHEMBL2042076
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 1000 nM
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