General Information of the Compound
Compound ID
CP0667582
Compound Name
(Z)-N-ethyl-N-methyl-3-((4-(N-methylmethylsulfonamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
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Formula
C27H28N4O4S
Molecular Weight
504.612
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1
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InChI
InChI=1S/C27H28N4O4S/c1-5-30(2)27(33)19-11-16-22-23(17-19)29-26(32)24(22)25(18-9-7-6-8-10-18)28-20-12-14-21(15-13-20)31(3)36(4,34)35/h6-17,28H,5H2,1-4H3,(H,29,32)/b25-24-
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InChIKey
YDKNADAGXQBUTQ-IZHYLOQSSA-N
Physicochemical Property
logP
4.1068
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
98.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 103063501
ChEMBL ID
CHEMBL1272127
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 = 231 nM