General Information of the Compound
Compound ID
CP0153828
Compound Name
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
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Structure
Formula
C25H17N5O
Molecular Weight
403.445
Canonical SMILES
O=C(NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccncc1
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InChI
InChI=1S/C25H17N5O/c31-25(15-8-11-26-12-9-15)30-23-17-5-2-1-4-16(17)22-18(23)6-3-7-19(22)24-28-20-10-13-27-14-21(20)29-24/h1-14,23H,(H,28,29)(H,30,31)
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InChIKey
NEEVLWIWDHBTEB-UHFFFAOYSA-N
Physicochemical Property
logP
4.5197
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 11978672
SID: 17430828
ChEMBL ID
CHEMBL1917727
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 = 1300 nM
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