General Information of the Compound
Compound ID
CP0020426
Compound Name
5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
    Show/Hide
Structure
Formula
C16H14N6O
Molecular Weight
306.329
Canonical SMILES
Nc1n[nH]c2ccc(cc12)-c1nnc(NCc2ccccc2)o1
    Show/Hide
InChI
InChI=1S/C16H14N6O/c17-14-12-8-11(6-7-13(12)19-20-14)15-21-22-16(23-15)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H3,17,19,20)
    Show/Hide
InChIKey
AUIUHHYHJAGFBH-UHFFFAOYSA-N
Physicochemical Property
logP
2.8072
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
105.65
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 25109769
SID: 56431547
ChEMBL ID
CHEMBL3093059
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: PT00985, Cell division cycle 7-related protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS