General Information of the Compound
Compound ID
CP0525041
Compound Name
4-(3H-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one
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Structure
Formula
C19H11N3O
Molecular Weight
297.317
Canonical SMILES
O=C1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1
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InChI
InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22)
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InChIKey
MAPDUHHTXROZLC-UHFFFAOYSA-N
Physicochemical Property
logP
3.8363
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 53393801
SID: 134225738
ChEMBL ID
CHEMBL1917725
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: PT01478, Heat shock protein HSP 90-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000261 SK-BR-3 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS