General Information of the Compound
Compound ID
CP0134782
Compound Name
5-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzo[d]imidazole
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Structure
Formula
C18H15N5
Molecular Weight
301.353
Canonical SMILES
C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccc2nc[nH]c2c1
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InChI
InChI=1S/C18H15N5/c1-2-8-19-14(4-1)18-17(16-5-3-9-23(16)22-18)12-6-7-13-15(10-12)21-11-20-13/h1-2,4,6-8,10-11H,3,5,9H2,(H,20,21)
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InChIKey
SVBDCIYLLHNPPR-UHFFFAOYSA-N
Physicochemical Property
logP
3.4346
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 9972086
SID: 14949472
ChEMBL ID
CHEMBL204139
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
CL000271 Mv1Lu Neovison vison (American mink)  1
1
IC50 = 422 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1700 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 = 8730 nM
   TI
   LI
   LO
   TS