General Information of the Compound
Compound ID
CP0020425
Compound Name
N-(pyridin-2-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
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Structure
Formula
C15H12N6O
Molecular Weight
292.302
Canonical SMILES
C(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccn1
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InChI
InChI=1S/C15H12N6O/c1-2-6-16-10(4-1)8-19-15-21-20-14(22-15)12-9-18-13-11(12)5-3-7-17-13/h1-7,9H,8H2,(H,17,18)(H,19,21)
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InChIKey
UGLRFPBHGYUHLU-UHFFFAOYSA-N
Physicochemical Property
logP
2.62
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
92.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 136240262
ChEMBL ID
CHEMBL3093066
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 = 13000 nM
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