General Information of the Compound
Compound ID
CP0778726
Compound Name
(Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phenyl)methylene)-N-ethyl-N-methyl-2-oxoindoline-6-carboxamide
    Show/Hide
Formula
C29H32N4O2
Molecular Weight
468.601
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CCN(C)C)cc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C29H32N4O2/c1-5-33(4)29(35)22-13-16-24-25(19-22)31-28(34)26(24)27(21-9-7-6-8-10-21)30-23-14-11-20(12-15-23)17-18-32(2)3/h6-16,19,30H,5,17-18H2,1-4H3,(H,31,34)/b27-26-
    Show/Hide
InChIKey
KHPXUXMWUXXXLH-RQZHXJHFSA-N
Physicochemical Property
logP
4.8151
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
64.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
35

"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
SID: 103063428
ChEMBL ID
CHEMBL1271631
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT Homo sapiens (Human)  1
1
EC50 = 259 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 64 nM