General Information of the Compound
Compound ID
CP0549347
Compound Name
2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-3-yl)pyrazol-1-yl]-N-methylacetamide
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Structure
Formula
C22H15N5O2
Molecular Weight
381.395
Canonical SMILES
CNC(=O)Cn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)-c2c1
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InChI
InChI=1S/C22H15N5O2/c1-24-19(28)11-27-10-14(9-25-27)13-3-5-15-17(7-13)21-20(22(15)29)16-4-2-12(8-23)6-18(16)26-21/h2-7,9-10,26H,11H2,1H3,(H,24,28)
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InChIKey
GPLUYLMQYLVCDG-UHFFFAOYSA-N
Physicochemical Property
logP
2.86048
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
103.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 127051473
ChEMBL ID
CHEMBL3815134
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 114 nM
   TI
   LI
   LO
   TS
2
IC50 = 124 nM
   TI
   LI
   LO
   TS