General Information of the Compound
Compound ID
CP0050333
Compound Name
3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)benzamide
    Show/Hide
Structure
Formula
C18H16N8O
Molecular Weight
360.381
Canonical SMILES
Cc1nc(N)nc(n1)-n1c(Nc2cccc(c2)C(N)=O)nc2ccccc12
    Show/Hide
InChI
InChI=1S/C18H16N8O/c1-10-21-16(20)25-17(22-10)26-14-8-3-2-7-13(14)24-18(26)23-12-6-4-5-11(9-12)15(19)27/h2-9H,1H3,(H2,19,27)(H,23,24)(H2,20,21,22,25)
    Show/Hide
InChIKey
FZSPKQZLGNEFOS-UHFFFAOYSA-N
Physicochemical Property
logP
1.94362
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
137.63
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 54583916
ChEMBL ID
CHEMBL1760153
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
CL000102 U-87MG ATCC Homo sapiens (Human)  2
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
2
IC50 = 3900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 175 nM