General Information of the Compound
Compound ID
CP0381118
Compound Name
(3-(5-(2,6-dimorpholinopyrimidin-4-yl)furan-2-yl)phenyl)methanol
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Structure
Formula
C23H26N4O4
Molecular Weight
422.485
Canonical SMILES
OCc1cccc(c1)-c1ccc(o1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
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InChI
InChI=1S/C23H26N4O4/c28-16-17-2-1-3-18(14-17)20-4-5-21(31-20)19-15-22(26-6-10-29-11-7-26)25-23(24-19)27-8-12-30-13-9-27/h1-5,14-15,28H,6-13,16H2
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InChIKey
BXRMHHSERKBUGT-UHFFFAOYSA-N
Physicochemical Property
logP
2.5691
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
84.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 45487715
ChEMBL ID
CHEMBL565849
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 510 nM
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