General Information of the Compound
Compound ID
CP0803296
Compound Name
SID17411844
    Show/Hide
Structure
Formula
C18H15Cl2N3O3
Molecular Weight
392.242
Canonical SMILES
CC(Oc1ccc(Cl)cc1Cl)C(=O)NC1=NN(c2ccccc2)C(=O)C1
    Show/Hide
InChI
InChI=1S/C18H15Cl2N3O3/c1-11(26-15-8-7-12(19)9-14(15)20)18(25)21-16-10-17(24)23(22-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,22,25)
    Show/Hide
InChIKey
HVLZJTHVKXQUHZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6273
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 2898510
ChEMBL ID
CHEMBL1546810
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: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS