General Information of the Compound
Compound ID
CP0667580
Compound Name
(Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phenylamino)(phenyl)methylene)-N-ethyl-2-oxoindoline-6-carboxamide
    Show/Hide
Formula
C30H33N5O3
Molecular Weight
511.626
Canonical SMILES
CCNC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCN(C)C)C(C)=O)cc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C30H33N5O3/c1-5-31-29(37)22-11-16-25-26(19-22)33-30(38)27(25)28(21-9-7-6-8-10-21)32-23-12-14-24(15-13-23)35(20(2)36)18-17-34(3)4/h6-16,19,32H,5,17-18H2,1-4H3,(H,31,37)(H,33,38)/b28-27-
    Show/Hide
InChIKey
ZYSFQPYDGIWDSA-DQSJHHFOSA-N
Physicochemical Property
logP
4.2833
Rotatable Bonds
9
Heavy Atom Count
38
Polar Areas
93.78
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 16803655
ChEMBL ID
CHEMBL1272238
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 = 1066 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM