General Information of the Compound
Compound ID
CP0247763
Compound Name
4-(2-morpholin-4-ylpyridin-4-yl)-N-phenylpyrimidin-2-amine
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Structure
Formula
C19H19N5O
Molecular Weight
333.395
Canonical SMILES
C1CN(CCO1)c1cc(ccn1)-c1ccnc(Nc2ccccc2)n1
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InChI
InChI=1S/C19H19N5O/c1-2-4-16(5-3-1)22-19-21-9-7-17(23-19)15-6-8-20-18(14-15)24-10-12-25-13-11-24/h1-9,14H,10-13H2,(H,21,22,23)
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InChIKey
DTSPPRSFKBTQDO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1188
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
63.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 71458570
ChEMBL ID
CHEMBL2158852
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: PT04520, Serine/threonine-protein kinase SMG1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1500 nM
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