General Information of the Compound
Compound ID
CP0375833
Compound Name
6-(2-piperidin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)-1,4-dihydroindeno[1,2-c]pyrazole
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Structure
Formula
C23H22N6
Molecular Weight
382.471
Canonical SMILES
C1c2cn[nH]c2-c2ccc(cc12)-c1nc([nH]c1-c1ccncc1)C1CCNCC1
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InChI
InChI=1S/C23H22N6/c1-2-19-17(12-18-13-26-29-20(18)19)11-16(1)22-21(14-3-7-24-8-4-14)27-23(28-22)15-5-9-25-10-6-15/h1-4,7-8,11,13,15,25H,5-6,9-10,12H2,(H,26,29)(H,27,28)
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InChIKey
QCVYALPOVDXDJE-UHFFFAOYSA-N
Physicochemical Property
logP
3.9
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
82.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 52942546
ChEMBL ID
CHEMBL1254230
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1330 nM
   TI
   LI
   LO
   TS
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS