General Information of the Compound
Compound ID
CP0834372
Compound Name
(Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phenylamino)(phenyl)methylene)-N-ethyl-2-oxoindoline-6-carboxamide
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Formula
C29H31N5O3
Molecular Weight
497.599
Canonical SMILES
CCNC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN(C)C)cc1)c1ccccc1
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InChI
InChI=1S/C29H31N5O3/c1-5-30-28(36)20-11-16-23-24(17-20)32-29(37)26(23)27(19-9-7-6-8-10-19)31-21-12-14-22(15-13-21)34(4)25(35)18-33(2)3/h6-17,31H,5,18H2,1-4H3,(H,30,36)(H,32,37)/b27-26-
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InChIKey
JVOASSRFSRQUDN-RQZHXJHFSA-N
Physicochemical Property
logP
3.8932
Rotatable Bonds
8
Heavy Atom Count
37
Polar Areas
93.78
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
37

"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: 103063350
ChEMBL ID
CHEMBL1272290
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 = 3383 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 35 nM