eCF309   

GtoPdb Ligand ID: 9571

Synonyms: compound 12 [Fraser et al., 2016] [1] | eCF-309
Compound class: Synthetic organic
Comment: eCF309 is a low nanomolar potency, selective and cell-permeable mTOR inhibitor [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 140.13
Molecular weight 383.17
XLogP 1.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC
Isomeric SMILES CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC
InChI InChI=1S/C18H21N7O3/c1-3-26-13(27-4-2)8-25-17-14(16(19)21-9-22-17)15(24-25)10-5-6-12-11(7-10)23-18(20)28-12/h5-7,9,13H,3-4,8H2,1-2H3,(H2,20,23)(H2,19,21,22)
InChI Key PSICWGWNIOOULV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-[4-amino-1-(2,2-diethoxyethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
Synonyms
compound 12 [Fraser et al., 2016] [1] | eCF-309
Database Links
BindingDB Ligand 200300
GtoPdb PubChem SID 336446957
PubChem CID 122163152
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Tocris
eCF 309
Cat. No. 5955