General Information of the Compound
Compound ID
CP0437838
Compound Name
[3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]methanol
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Structure
Formula
C13H15N7O2
Molecular Weight
301.31
Canonical SMILES
Cc1cc(CNc2nccc(Nc3cc(CO)n[nH]3)n2)on1
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InChI
InChI=1S/C13H15N7O2/c1-8-4-10(22-20-8)6-15-13-14-3-2-11(17-13)16-12-5-9(7-21)18-19-12/h2-5,21H,6-7H2,1H3,(H3,14,15,16,17,18,19)
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InChIKey
QBUIUFWFHZYWJJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.34412
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
124.78
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Complexity
22

"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: 60154339
SID: 144085264
ChEMBL ID
CHEMBL2088110
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 = 794.33 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 = 39810.72 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 = 19952.62 nM
   TI
   LI
   LO
   TS