General Information of the Compound
Compound ID
CP0374117
Compound Name
2,6-dimethoxy-4-(1-(2-morpholinopyrimidin-4-yl)-1H-imidazol-4-yl)phenol
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Structure
Formula
C19H21N5O4
Molecular Weight
383.408
Canonical SMILES
COc1cc(cc(OC)c1O)-c1cn(cn1)-c1ccnc(n1)N1CCOCC1
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InChI
InChI=1S/C19H21N5O4/c1-26-15-9-13(10-16(27-2)18(15)25)14-11-24(12-21-14)17-3-4-20-19(22-17)23-5-7-28-8-6-23/h3-4,9-12,25H,5-8H2,1-2H3
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InChIKey
GTNXCXZEXOYXLC-UHFFFAOYSA-N
Physicochemical Property
logP
1.8887
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
94.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
28

"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: 11997784
SID: 17496942
ChEMBL ID
CHEMBL585130
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 = 460 nM
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