General Information of the Compound
Compound ID
CP0477722
Compound Name
5-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
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Structure
Formula
C11H18N4O2
Molecular Weight
238.291
Canonical SMILES
Cc1n[nH]cc1C(=O)NCCN1CCOCC1
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InChI
InChI=1S/C11H18N4O2/c1-9-10(8-13-14-9)11(16)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,12,16)(H,13,14)
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InChIKey
FWDZCAYVYJZMCG-UHFFFAOYSA-N
Physicochemical Property
logP
-0.21988
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
70.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 61684995
ChEMBL ID
CHEMBL4777636
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: PT03382, Lysine-specific demethylase 5B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS