General Information of the Compound
Compound ID
CP0758987
Compound Name
SID24823466
    Show/Hide
Formula
C26H21N3O3
Molecular Weight
423.472
Canonical SMILES
CC(=O)Nc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1
    Show/Hide
InChI
InChI=1S/C26H21N3O3/c1-17(30)28-21-13-11-19(12-14-21)27-16-24-22-10-6-5-7-18(22)15-23(25(24)31)26(32)29-20-8-3-2-4-9-20/h2-16,31H,1H3,(H,28,30)(H,29,32)/b27-16+
    Show/Hide
InChIKey
MUWJDZHXKYTBCX-JVWAILMASA-N
Physicochemical Property
logP
5.5067
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
90.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
32

"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
ChEMBL ID
CHEMBL3192206
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 ~ 6513.1 nM
   TI
   LI
   LO
   TS