General Information of the Compound
Compound ID
CP0383440
Compound Name
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
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Structure
Formula
C13H15N7O
Molecular Weight
285.311
Canonical SMILES
Cc1cc(Nc2ccnc(NCc3cc(C)no3)n2)[nH]n1
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InChI
InChI=1S/C13H15N7O/c1-8-6-12(19-18-8)16-11-3-4-14-13(17-11)15-7-10-5-9(2)20-21-10/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18,19)
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InChIKey
TWJNKGRJIMBKFD-UHFFFAOYSA-N
Physicochemical Property
logP
2.16024
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
104.55
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 60154328
SID: 144085252
ChEMBL ID
CHEMBL2088098
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: PT01091, Fibroblast growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 79.43 nM
   TI
   LI
   LO
   TS
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 12589.25 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS