General Information of the Compound
Compound ID
CP0577425
Compound Name
US10807944, Compound RLS2-289
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Structure
Formula
C10H15N3O
Molecular Weight
193.25
Canonical SMILES
CCCCNNC(=O)c1cccnc1
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InChI
InChI=1S/C10H15N3O/c1-2-3-7-12-13-10(14)9-5-4-6-11-8-9/h4-6,8,12H,2-3,7H2,1H3,(H,13,14)
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InChIKey
NBKPFBBNYBOQPN-UHFFFAOYSA-N
Physicochemical Property
logP
1.1161
Rotatable Bonds
5
Heavy Atom Count
14
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 19758658
ChEMBL ID
CHEMBL4752816
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: PT00995, Histone deacetylase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1547 nM
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