General Information of the Compound
Compound ID
CP0834501
Compound Name
(Z)-3-((4-(N-(2-(dimethylamino)-2-oxoethyl)methylsulfonamido)phenylamino)(phenyl)methylene)-N-ethyl-N-methyl-2-oxoindoline-6-carboxamide
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Formula
C30H33N5O5S
Molecular Weight
575.691
Canonical SMILES
CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CC(=O)N(C)C)S(C)(=O)=O)cc1)c1ccccc1
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InChI
InChI=1S/C30H33N5O5S/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(41(5,39)40)19-26(36)33(2)3/h7-18,31H,6,19H2,1-5H3,(H,32,37)/b28-27-
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InChIKey
DLXGDQAWZVGPQU-DQSJHHFOSA-N
Physicochemical Property
logP
3.5652
Rotatable Bonds
9
Heavy Atom Count
41
Polar Areas
119.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
41

"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: 103063500
ChEMBL ID
CHEMBL1271683
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 > 3000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 86 nM