General Information of the Compound
Compound ID
CP0687903
Compound Name
2-(cyclohexanecarbonyl)-N-hydroxy-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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Structure
Formula
C17H22N2O3
Molecular Weight
302.374
Canonical SMILES
O=C(NO)c1ccc2c(c1)CCN(C(=O)C1CCCCC1)C2
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InChI
InChI=1S/C17H22N2O3/c20-16(18-22)14-6-7-15-11-19(9-8-13(15)10-14)17(21)12-4-2-1-3-5-12/h6-7,10,12,22H,1-5,8-9,11H2,(H,18,20)
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InChIKey
LXCIPBCRZQIKLP-UHFFFAOYSA-N
Physicochemical Property
logP
2.2706
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 58147140
ChEMBL ID
CHEMBL2431903
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 540 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM