General Information of the Compound
Compound ID
CP0039635
Compound Name
2,4-diaminofuro[2,3-d]pyrimidine, 13
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Structure
Formula
C19H24N4O2
Molecular Weight
340.427
Canonical SMILES
CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
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InChI
InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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InChIKey
AYLKSELOGWVDPG-UHFFFAOYSA-N
Physicochemical Property
logP
3.7682
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
100.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 44246330
SID: 92726525
ChEMBL ID
CHEMBL594339
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: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000117 SF539 Homo sapiens (Human)  1
1
IC50 = 17400 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 106300 nM
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