General Information of the Compound
Compound ID
CP0410143
Compound Name
N-(2,2-diethoxyethyl)-2-imino-8-methoxychromene-3-carboxamide
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Structure
Formula
C17H22N2O5
Molecular Weight
334.372
Canonical SMILES
CCOC(CNC(=O)c1cc2cccc(OC)c2oc1=N)OCC
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InChI
InChI=1S/C17H22N2O5/c1-4-22-14(23-5-2)10-19-17(20)12-9-11-7-6-8-13(21-3)15(11)24-16(12)18/h6-9,14,18H,4-5,10H2,1-3H3,(H,19,20)
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InChIKey
LPPCBRDGCRPBLT-UHFFFAOYSA-N
Physicochemical Property
logP
2.04977
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
93.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 70686118
ChEMBL ID
CHEMBL2042069
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 = 1584.89 nM
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