General Information of the Compound
Compound ID
CP0897645
Compound Name
(Z)-3-(2-(4-fluorophenylamino)-4-oxothiazol-5(4H)-ylidene)-1-methylindolin-2-one
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Structure
Formula
C18H12FN3O2S
Molecular Weight
353.378
Canonical SMILES
CN1C(=O)/C(=C2\SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc21
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InChI
InChI=1S/C18H12FN3O2S/c1-22-13-5-3-2-4-12(13)14(17(22)24)15-16(23)21-18(25-15)20-11-8-6-10(19)7-9-11/h2-9H,1H3,(H,20,21,23)/b15-14-
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InChIKey
ONHADLRFUHGNIQ-PFONDFGASA-N
Physicochemical Property
logP
3.2547
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
61.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 135418652
ChEMBL ID
CHEMBL212045
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: PT06527, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 50000 nM
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