General Information of the Compound
Compound ID
CP0520500
Compound Name
7-(diethylamino)-1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one
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Structure
Formula
C18H23N3O2
Molecular Weight
313.401
Canonical SMILES
CCN(CC)c1ccc2c3n(CC(C)C)cnc3c(=O)oc2c1
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InChI
InChI=1S/C18H23N3O2/c1-5-20(6-2)13-7-8-14-15(9-13)23-18(22)16-17(14)21(11-19-16)10-12(3)4/h7-9,11-12H,5-6,10H2,1-4H3
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InChIKey
INJHPZJBYWDTPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.6449
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
51.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 155554706
ChEMBL ID
CHEMBL4558078
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 29900 nM
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