General Information of the Compound
Compound ID
CP0675025
Compound Name
SID50107431
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Formula
C15H14O3
Molecular Weight
242.274
Canonical SMILES
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
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InChIKey
CIEYTVIYYGTCCI-UHFFFAOYSA-N
Physicochemical Property
logP
3.234
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
54.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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
SID: 15069338
ChEMBL ID
CHEMBL15193
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  2
1
EC50 = 2840 nM
   TI
   LI
   LO
   TS
2
IC50 = 4660 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 47900 nM
   TI
   LI
   LO
   TS