General Information of the Compound
Compound ID
CP0208474
Compound Name
N-(2-aminophenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
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Structure
Formula
C19H21N5O3
Molecular Weight
367.409
Canonical SMILES
Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1
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InChI
InChI=1S/C19H21N5O3/c20-14-3-1-2-4-15(14)23-17(25)13-5-6-16(21-11-13)24-9-7-19(8-10-24)12-22-18(26)27-19/h1-6,11H,7-10,12,20H2,(H,22,26)(H,23,25)
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InChIKey
KFRBESWRZGMTJN-UHFFFAOYSA-N
Physicochemical Property
logP
1.9949
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
109.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 90643785
ChEMBL ID
CHEMBL3286739
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 580 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
GI50 = 5080 nM
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