General Information of the Compound
Compound ID
CP0510089
Compound Name
12,13-(1,6-hex-cis-3-enyl)-6,7,12,13-tetrahydro-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
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Structure
Formula
C26H21N3O
Molecular Weight
391.474
Canonical SMILES
O=C1NCc2c1c1c3ccccc3n3CC\C=C/CCn4c5ccccc5c2c4c13
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InChI
InChI=1S/C26H21N3O/c30-26-23-18(15-27-26)21-16-9-3-5-11-19(16)28-13-7-1-2-8-14-29-20-12-6-4-10-17(20)22(23)25(29)24(21)28/h1-6,9-12H,7-8,13-15H2,(H,27,30)/b2-1-
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InChIKey
OLEJJFVQPXRZGL-UPHRSURJSA-N
Physicochemical Property
logP
5.4958
Rotatable Bonds
0
Heavy Atom Count
30
Polar Areas
38.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 45273364
ChEMBL ID
CHEMBL558115
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: PT00892, Tyrosine-protein kinase JAK3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 39 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS