General Information of the Compound
Compound ID
CP0573484
Compound Name
[4-amino-2-[(2-methyl-6-morpholin-4-ylpyridin-3-yl)amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
    Show/Hide
Structure
Formula
C20H19Cl2N5O2S
Molecular Weight
464.378
Canonical SMILES
Cc1nc(ccc1Nc1nc(N)c(s1)C(=O)c1c(Cl)cccc1Cl)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C20H19Cl2N5O2S/c1-11-14(5-6-15(24-11)27-7-9-29-10-8-27)25-20-26-19(23)18(30-20)17(28)16-12(21)3-2-4-13(16)22/h2-6H,7-10,23H2,1H3,(H,25,26)
    Show/Hide
InChIKey
CKZXLBVKAYSONS-UHFFFAOYSA-N
Physicochemical Property
logP
4.54672
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
93.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 168280118
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: PT02260, Cyclin-dependent kinase 11A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3400 nM
   TI
   LI
   LO
   TS