General Information of the Compound
Compound ID
CP0572076
Compound Name
5-cyclopropyl-2-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
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Structure
Formula
C19H21N5O2
Molecular Weight
351.41
Canonical SMILES
C[C@@H](NC(=O)c1cc(nn1C)C1CC1)c1nc(no1)-c1cccc(C)c1
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InChI
InChI=1S/C19H21N5O2/c1-11-5-4-6-14(9-11)17-21-19(26-23-17)12(2)20-18(25)16-10-15(13-7-8-13)22-24(16)3/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,20,25)/t12-/m1/s1
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InChIKey
CLINQEGUIZAEPS-GFCCVEGCSA-N
Physicochemical Property
logP
3.14692
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
85.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 51498796
ChEMBL ID
CHEMBL4763819
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: PT06983, Potassium channel subfamily T member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 3314 nM
   TI
   LI
   LO
   TS