General Information of the Compound
Compound ID
CP0818490
Compound Name
(Z)-3-((cyclohexylamino)(phenyl)methylene)-N-ethyl-N-methyl-2-oxoindoline-6-carboxamide
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Formula
C25H29N3O2
Molecular Weight
403.526
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\NC1CCCCC1)c1ccccc1
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InChI
InChI=1S/C25H29N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4,6-7,10-11,14-16,19,26H,3,5,8-9,12-13H2,1-2H3,(H,27,29)/b23-22-
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InChIKey
ZBIAZQFNVYYLOE-FCQUAONHSA-N
Physicochemical Property
logP
4.5212
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 103063274
ChEMBL ID
CHEMBL1272126
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