General Information of the Compound
Compound ID
CP0774796
Compound Name
(Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phenyl)methylene)-N-ethyl-2-oxoindoline-6-carboxamide
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Formula
C28H30N4O2
Molecular Weight
454.574
Canonical SMILES
CCNC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CCN(C)C)cc1)c1ccccc1
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InChI
InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28(34)25(23)26(20-8-6-5-7-9-20)30-22-13-10-19(11-14-22)16-17-32(2)3/h5-15,18,30H,4,16-17H2,1-3H3,(H,29,33)(H,31,34)/b26-25-
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InChIKey
LBZFXCHCPXGOBO-QPLCGJKRSA-N
Physicochemical Property
logP
4.4729
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
73.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 103063427
ChEMBL ID
CHEMBL1271577
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 = 135 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 47 nM