General Information of the Compound
Compound ID
CP0003153
Compound Name
(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one
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Synonyms
(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-1H-indol-2-one
220749-41-7
3-(2-Chloro-3-indolylmethylene)-1,3-dihydroindol-2-one
3-[(2-Chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one
AC1NV88J
BDBM50375670
BRD-K81836716-001-01-7
CCG-206822
CHEBI:113538
CHEMBL261425
Cdk1 inhibitor
GTPL5944
HMS3229C12
HSCI1_000249
J-014469
K00028
NSC-720148
NSC720148
RT-011955
SCHEMBL1394886
cdk1 inhibitor
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Structure
Formula
C17H11ClN2O
Molecular Weight
294.741
Canonical SMILES
Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12
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InChI
InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+
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InChIKey
QJKBRWSJWQVKLY-UKTHLTGXSA-N
Physicochemical Property
logP
4.314
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 5472558
SID: 15072503
ChEMBL ID
CHEMBL261425
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: PT00980, Aurora kinase A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01223, Aurora kinase B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 15600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cdk1 inhibitor )
Drug Name Cdk1 inhibitor
Target(s)
Cyclin-dependent kinase 1 (CDK1)
 Target Info 
Inhibitor