General Information of the Compound
Compound ID
CP0113629
Compound Name
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
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Structure
Formula
C25H18N6O
Molecular Weight
418.46
Canonical SMILES
Nc1cc(ccn1)C(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1
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InChI
InChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)
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InChIKey
MLQIPNRXDPWOES-UHFFFAOYSA-N
Physicochemical Property
logP
4.1019
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
109.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 11978794
SID: 17430953
ChEMBL ID
CHEMBL1917729
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 = 900 nM
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