General Information of the Compound
Compound ID
CP0834502
Compound Name
(Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phenylamino)methylene)-N-ethyl-2-oxoindoline-6-carboxamide
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Formula
C23H27N5O3
Molecular Weight
421.501
Canonical SMILES
CCNC(=O)c1ccc2c(c1)NC(=O)/C2=C\Nc1ccc(N(C)C(=O)CN(C)C)cc1
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InChI
InChI=1S/C23H27N5O3/c1-5-24-22(30)15-6-11-18-19(23(31)26-20(18)12-15)13-25-16-7-9-17(10-8-16)28(4)21(29)14-27(2)3/h6-13,25H,5,14H2,1-4H3,(H,24,30)(H,26,31)/b19-13-
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InChIKey
PNLWAVIPRZPHPC-UYRXBGFRSA-N
Physicochemical Property
logP
2.3658
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
93.78
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
31

"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).

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PubChem ID
SID: 103063587
ChEMBL ID
CHEMBL1272076
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 = 4355 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 52 nM