General Information of the Compound
Compound ID
CP0742410
Compound Name
4-methyl-N-(6-methyl-2-oxo-2H-chromen-3-yl)benzamide
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Structure
Formula
C18H15NO3
Molecular Weight
293.322
Canonical SMILES
Cc1ccc(C(=O)Nc2cc3cc(C)ccc3oc2=O)cc1
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InChI
InChI=1S/C18H15NO3/c1-11-3-6-13(7-4-11)17(20)19-15-10-14-9-12(2)5-8-16(14)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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InChIKey
DUFYHLPGRRTZAM-UHFFFAOYSA-N
Physicochemical Property
logP
3.66214
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
59.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 90667148
ChEMBL ID
CHEMBL3220507
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: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 41370 nM
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