General Information of the Compound
Compound ID
CP0567969
Compound Name
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
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Structure
Formula
C18H17N3O
Molecular Weight
291.354
Canonical SMILES
C[C@H](C(=O)Nc1ccn(n1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)18(22)19-17-12-13-21(20-17)16-10-6-3-7-11-16/h2-14H,1H3,(H,19,20,22)/t14-/m0/s1
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InChIKey
ULZFXKNWGSBUBO-AWEZNQCLSA-N
Physicochemical Property
logP
3.6145
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 134589089
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: PT05231, Very long chain fatty acid elongase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000154 HEK293-EBNA1-6E Homo sapiens (Human)  1
1
IC50 = 38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2000 nM