General Information of the Compound
Compound ID
CP0435030
Compound Name
Spiro-indolinone analogue, 51
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Structure
Formula
C22H19ClN2O5
Molecular Weight
426.856
Canonical SMILES
CCOC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12
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InChI
InChI=1S/C22H19ClN2O5/c1-2-30-19(27)13-24-17-9-8-15(23)10-16(17)22(20(24)28)11-18(26)25(21(22)29)12-14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3
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InChIKey
KRFJPSPAMJNADY-UHFFFAOYSA-N
Physicochemical Property
logP
2.4466
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
83.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 24776290
SID: 49848734
ChEMBL ID
CHEMBL259506
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 30000 nM
   TI
   LI
   LO
   TS