General Information of the Compound
Compound ID
CP0726725
Compound Name
SID49643621
    Show/Hide
Structure
Formula
C13H10ClN3O2
Molecular Weight
275.695
Canonical SMILES
O=C(N/N=C/c1cc(Cl)ccc1O)c1cccnc1
    Show/Hide
InChI
InChI=1S/C13H10ClN3O2/c14-11-3-4-12(18)10(6-11)8-16-17-13(19)9-2-1-5-15-7-9/h1-8,18H,(H,17,19)/b16-8+
    Show/Hide
InChIKey
WZSCOZWXTCWXQN-LZYBPNLTSA-N
Physicochemical Property
logP
2.2045
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
74.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 135533081
ChEMBL ID
CHEMBL1971144
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1299.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 63611 nM
   TI
   LI
   LO
   TS