General Information of the Compound
Compound ID
CP0299806
Compound Name
N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
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Structure
Formula
C25H25N5O3
Molecular Weight
443.507
Canonical SMILES
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccccc1
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InChI
InChI=1S/C25H25N5O3/c26-20-8-6-18(17-4-2-1-3-5-17)14-21(20)29-23(31)19-7-9-22(27-15-19)30-12-10-25(11-13-30)16-28-24(32)33-25/h1-9,14-15H,10-13,16,26H2,(H,28,32)(H,29,31)
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InChIKey
BJYDJXHEOGYQLF-UHFFFAOYSA-N
Physicochemical Property
logP
3.6619
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
109.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 24744473
SID: 49638092
ChEMBL ID
CHEMBL3286735
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 = 17 nM
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