General Information of the Compound
Compound ID
CP0508199
Compound Name
5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole
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Structure
Formula
C19H16N4
Molecular Weight
300.365
Canonical SMILES
C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccc2[nH]ccc2c1
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InChI
InChI=1S/C19H16N4/c1-2-9-20-16(4-1)19-18(17-5-3-11-23(17)22-19)14-6-7-15-13(12-14)8-10-21-15/h1-2,4,6-10,12,21H,3,5,11H2
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InChIKey
QHMHAHQOXJQUDW-UHFFFAOYSA-N
Physicochemical Property
logP
4.0396
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
46.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 11507696
SID: 16609619
ChEMBL ID
CHEMBL204061
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01867, TGF-beta receptor type-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS