General Information of the Compound
Compound ID
CP0204867
Compound Name
(1R,2R,3R)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
    Show/Hide
Structure
Formula
C21H19N3O2
Molecular Weight
345.402
Canonical SMILES
Cc1cnc(nc1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO
    Show/Hide
InChI
InChI=1S/C21H19N3O2/c1-13-11-22-20(23-12-13)16-9-7-15(8-10-16)18-17(19(18)21(25)24-26)14-5-3-2-4-6-14/h2-12,17-19,26H,1H3,(H,24,25)/t17-,18-,19-/m1/s1
    Show/Hide
InChIKey
VEYGHBGGCALTMA-GUDVDZBRSA-N
Physicochemical Property
logP
3.45462
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
75.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 60148738
SID: 144076772
ChEMBL ID
CHEMBL3793034
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)  1
1
IC50 = 510 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 180 nM