General Information of the Compound
Compound ID
CP0506078
Compound Name
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide
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Structure
Formula
C30H20N4O
Molecular Weight
452.517
Canonical SMILES
O=C(NC1c2ccccc2-c2c1cccc2-c1nc2ccccc2[nH]1)c1cccc2ncccc12
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InChI
InChI=1S/C30H20N4O/c35-30(21-10-6-16-24-18(21)13-7-17-31-24)34-28-20-9-2-1-8-19(20)27-22(28)11-5-12-23(27)29-32-25-14-3-4-15-26(25)33-29/h1-17,28H,(H,32,33)(H,34,35)
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InChIKey
DFBPGIPNWBMSSO-UHFFFAOYSA-N
Physicochemical Property
logP
6.2779
Rotatable Bonds
3
Heavy Atom Count
35
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
35

"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: 57402674
ChEMBL ID
CHEMBL1917728
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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