General Information of the Compound
Compound ID
CP0007364
Compound Name
INDIRUBIN 1
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Formula
C18H11Cl2N3O3
Molecular Weight
388.21
Canonical SMILES
CC(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Cl)c(Cl)cc12
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InChI
InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)/b17-15-,23-16+
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InChIKey
DMFMPEWLXMKYKK-TXNUIROASA-N
Physicochemical Property
logP
4.0495
Rotatable Bonds
1
Heavy Atom Count
26
Polar Areas
79.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 16293907
ChEMBL ID
CHEMBL253769
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3.981 nM
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