General Information of the Compound
Compound ID
CP0484291
Compound Name
2-(2-methylpyrazol-3-yl)-4-[6-[3-(5-methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]morpholine
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Structure
Formula
C19H25N7O2
Molecular Weight
383.456
Canonical SMILES
Cc1ccnn1CCCOc1cc(ncn1)N1CCOC(C1)c1ccnn1C
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InChI
InChI=1S/C19H25N7O2/c1-15-4-6-23-26(15)8-3-10-28-19-12-18(20-14-21-19)25-9-11-27-17(13-25)16-5-7-22-24(16)2/h4-7,12,14,17H,3,8-11,13H2,1-2H3
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InChIKey
NZRSEBVRAZFZHZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.76202
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
83.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Complexity
28

"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: 166635533
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 140 nM
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