General Information of the Compound
Compound ID
CP0832208
Compound Name
(Z)-N-ethyl-N-methyl-3-((1-methylpiperidin-4-ylamino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
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Formula
C25H30N4O2
Molecular Weight
418.541
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\NC1CCN(C)CC1)c1ccccc1
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InChI
InChI=1S/C25H30N4O2/c1-4-29(3)25(31)18-10-11-20-21(16-18)27-24(30)22(20)23(17-8-6-5-7-9-17)26-19-12-14-28(2)15-13-19/h5-11,16,19,26H,4,12-15H2,1-3H3,(H,27,30)/b23-22-
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InChIKey
DVCSUGRKKGJBHN-FCQUAONHSA-N
Physicochemical Property
logP
3.2827
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
64.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 103063273
ChEMBL ID
CHEMBL1272077
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 50000 nM