General Information of the Compound
Compound ID
CP0095465
Compound Name
N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
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Structure
Formula
C19H23N5
Molecular Weight
321.428
Canonical SMILES
CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1
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InChI
InChI=1S/C19H23N5/c1-24(2)15-8-6-14(7-9-15)17-13-18-16(5-3-11-21-18)19(23-17)22-12-4-10-20/h3,5-9,11,13H,4,10,12,20H2,1-2H3,(H,22,23)
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InChIKey
RIWJHDIYQSQOAT-UHFFFAOYSA-N
Physicochemical Property
logP
3.1235
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
67.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 9818573
SID: 14777065
ChEMBL ID
CHEMBL30678
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
IC50 = 951 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 34 nM
2 IC50 = 552 nM