General Information of the Compound
Compound ID
CP0259173
Compound Name
3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-N-methyl-2-oxoindoline-5-carboxamide
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Structure
Formula
C21H19N3O3
Molecular Weight
361.401
Canonical SMILES
CNC(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
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InChI
InChI=1S/C21H19N3O3/c1-22-20(25)12-4-6-18-16(8-12)17(21(26)23-18)9-13-11-24(2)19-7-5-14(27-3)10-15(13)19/h4-11H,1-3H3,(H,22,25)(H,23,26)/b17-9-
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InChIKey
PFAPJAYUYRSASC-MFOYZWKCSA-N
Physicochemical Property
logP
3.0392
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
72.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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
CID: 9820317
SID: 14779080
ChEMBL ID
CHEMBL318079
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: PT06075, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000278 RBL-2H3 Rattus norvegicus (Rat)  1
1
EC50 = 100 nM
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