General Information of the Compound
Compound ID
CP0553903
Compound Name
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
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Structure
Formula
C14H13NO5
Molecular Weight
275.26
Canonical SMILES
OC(=O)c1cc2ccc(cc2oc1=O)N1CCOCC1
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InChI
InChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)
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InChIKey
KCTFUVGCNPZNQR-UHFFFAOYSA-N
Physicochemical Property
logP
1.3278
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
79.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 3469110
ChEMBL ID
CHEMBL2442508
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: PT06656, Monocarboxylate transporter 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000588 SiHa Homo sapiens (Human)  1
1
IC50 = 7900 nM
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