General Information of the Compound
Compound ID
CP0886259
Compound Name
SID121286618
    Show/Hide
Structure
Formula
C11H18N6O
Molecular Weight
250.306
Canonical SMILES
CN(N=Nc1[nH]cnc1C(N)=O)C1CCCCC1
    Show/Hide
InChI
InChI=1S/C11H18N6O/c1-17(8-5-3-2-4-6-8)16-15-11-9(10(12)18)13-7-14-11/h7-8H,2-6H2,1H3,(H2,12,18)(H,13,14)
    Show/Hide
InChIKey
RHFNBVHPCYWCNV-UHFFFAOYSA-N
Physicochemical Property
logP
1.7718
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
99.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 256331
ChEMBL ID
CHEMBL2130861
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: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 6780 nM
   TI
   LI
   LO
   TS