General Information of the Compound
Compound ID
CP0407289
Compound Name
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
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Structure
Formula
C15H24N4O2
Molecular Weight
292.383
Canonical SMILES
CC(C)C(=O)NC1CCN(C1)C(=O)c1cc([nH]n1)C(C)C
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InChI
InChI=1S/C15H24N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,16,20)(H,17,18)
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InChIKey
XUOCHQJRNWAHTC-UHFFFAOYSA-N
Physicochemical Property
logP
1.5198
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
78.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 137634783
ChEMBL ID
CHEMBL4061676
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: PT02613, Lysine-specific demethylase 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 204 nM
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