General Information of the Compound
Compound ID
CP0425898
Compound Name
N-(1-phenylpropyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
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Structure
Formula
C34H33N7O
Molecular Weight
555.686
Canonical SMILES
CCCc1nn2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC(CC)c1ccccc1
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InChI
InChI=1S/C34H33N7O/c1-3-10-31-29(21-23-15-17-24(18-16-23)27-13-8-9-14-28(27)33-36-39-40-37-33)32-22-26(19-20-41(32)38-31)34(42)35-30(4-2)25-11-6-5-7-12-25/h5-9,11-20,22,30H,3-4,10,21H2,1-2H3,(H,35,42)(H,36,37,39,40)
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InChIKey
NYTRIMDNZMDDMC-UHFFFAOYSA-N
Physicochemical Property
logP
6.6058
Rotatable Bonds
10
Heavy Atom Count
42
Polar Areas
100.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
42

"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: 76317815
ChEMBL ID
CHEMBL3115245
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: PT01919, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03063, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 180 nM
   TI
   LI
   LO
   TS
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 250 nM
   TI
   LI
   LO
   TS
Protein ID: PT01197, Type-1 angiotensin II receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 97 nM
   TI
   LI
   LO
   TS