General Information of the Compound
Compound ID
CP0905188
Compound Name
4,7-dimethyl-5-(3-morpholinopropoxy)-2H-chromen-2-one
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Structure
Formula
C18H23NO4
Molecular Weight
317.385
Canonical SMILES
Cc1cc(OCCCN2CCOCC2)c2c(C)cc(=O)oc2c1
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InChI
InChI=1S/C18H23NO4/c1-13-10-15(18-14(2)12-17(20)23-16(18)11-13)22-7-3-4-19-5-8-21-9-6-19/h10-12H,3-9H2,1-2H3
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InChIKey
FYFHYFVRMWJKQQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.51094
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
51.91
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: 145980513
ChEMBL ID
CHEMBL4278818
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 1304 nM
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS