General Information of the Compound
Compound ID
CP0510522
Compound Name
N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-[4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
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Structure
Formula
C26H24N8O
Molecular Weight
464.533
Canonical SMILES
Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1
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InChI
InChI=1S/C26H24N8O/c1-18-14-32(17-27-18)21-11-9-20(10-12-21)24-15-33(31-29-24)16-26(35)28-25-13-23(19-7-8-19)30-34(25)22-5-3-2-4-6-22/h2-6,9-15,17,19H,7-8,16H2,1H3,(H,28,35)
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InChIKey
OOSFKAZKSXUEGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.14102
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
95.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
35

"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: 90645510
ChEMBL ID
CHEMBL3298267
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 60 nM