General Information of the Compound
Compound ID
CP0785594
Compound Name
(Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfonamido)phenylamino)(phenyl)methylene)-N-ethyl-N-methyl-2-oxoindoline-6-carboxamide
    Show/Hide
Formula
C30H35N5O4S
Molecular Weight
561.708
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32-29(36)27(25)28(21-10-8-7-9-11-21)31-23-13-15-24(16-14-23)35(40(5,38)39)19-18-33(2)3/h7-17,20,31H,6,18-19H2,1-5H3,(H,32,36)/b28-27-
    Show/Hide
InChIKey
DJQVUYJBUCHJDH-DQSJHHFOSA-N
Physicochemical Property
logP
4.0386
Rotatable Bonds
10
Heavy Atom Count
40
Polar Areas
102.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 103063275
ChEMBL ID
CHEMBL1272182
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 = 209 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM