General Information of the Compound
Compound ID
CP0667581
Compound Name
(Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)phenylamino)(phenyl)methylene)-N-ethyl-N-methyl-2-oxoindoline-6-carboxamide
    Show/Hide
Formula
C32H37N5O3
Molecular Weight
539.68
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCCN(C)C)C(C)=O)cc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C32H37N5O3/c1-6-36(5)32(40)24-13-18-27-28(21-24)34-31(39)29(27)30(23-11-8-7-9-12-23)33-25-14-16-26(17-15-25)37(22(2)38)20-10-19-35(3)4/h7-9,11-18,21,33H,6,10,19-20H2,1-5H3,(H,34,39)/b30-29-
    Show/Hide
InChIKey
CKNHHTRTDCIBGT-FLWNBWAVSA-N
Physicochemical Property
logP
5.0156
Rotatable Bonds
10
Heavy Atom Count
40
Polar Areas
84.99
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
40

"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: 103063348
ChEMBL ID
CHEMBL1271796
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 = 411 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM