General Information of the Compound
Compound ID
CP0441821
Compound Name
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloropyridin-2-yl]amino]-2-chloropyridin-3-yl]morpholine-4-sulfonamide
    Show/Hide
Structure
Formula
C18H19Cl2N9O3S
Molecular Weight
512.383
Canonical SMILES
Cc1nc(N)nc(n1)-c1cc(Cl)cnc1Nc1cnc(Cl)c(NS(=O)(=O)N2CCOCC2)c1
    Show/Hide
InChI
InChI=1S/C18H19Cl2N9O3S/c1-10-24-17(27-18(21)25-10)13-6-11(19)8-23-16(13)26-12-7-14(15(20)22-9-12)28-33(30,31)29-2-4-32-5-3-29/h6-9,28H,2-5H2,1H3,(H,23,26)(H2,21,24,25,27)
    Show/Hide
InChIKey
OMAOPVVDUUYSAR-UHFFFAOYSA-N
Physicochemical Property
logP
2.25852
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
161.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
10
Complexity
33

"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: 71461426
SID: 163453179
ChEMBL ID
CHEMBL2206902
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
Ki = 8.6 nM
   TI
   LI
   LO
   TS