General Information of the Compound
Compound ID
CP0124688
Compound Name
N-hydroxy-9H-fluorene-9-carboxamide
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Structure
Formula
C14H11NO2
Molecular Weight
225.247
Canonical SMILES
ONC(=O)C1c2ccccc2-c2ccccc12
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InChI
InChI=1S/C14H11NO2/c16-14(15-17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,17H,(H,15,16)
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InChIKey
LEYJMVDNPXDXSO-UHFFFAOYSA-N
Physicochemical Property
logP
2.3043
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 54030066
ChEMBL ID
CHEMBL3110003
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: PT00994, Histone deacetylase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000081 Jurkat E6.1 Homo sapiens (Human)  2
1
IC50 = 970 nM
   TI
   LI
   LO
   TS
2
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 310 nM
2 IC50 = 330 nM