General Information of the Compound
Compound ID
CP0376696
Compound Name
N-[4-[4-[(2-propan-2-yloxy-2,3-dihydropyrazin-5-yl)oxy]phenyl]butan-2-yl]acetamide
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Structure
Formula
C19H27N3O3
Molecular Weight
345.443
Canonical SMILES
CC(C)OC1CN=C(Oc2ccc(CCC(C)NC(C)=O)cc2)C=N1
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InChI
InChI=1S/C19H27N3O3/c1-13(2)24-18-11-21-19(12-20-18)25-17-9-7-16(8-10-17)6-5-14(3)22-15(4)23/h7-10,12-14,18H,5-6,11H2,1-4H3,(H,22,23)
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InChIKey
OZBDMJFOUOENCC-UHFFFAOYSA-N
Physicochemical Property
logP
2.7566
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
72.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 53319127
ChEMBL ID
CHEMBL1630719
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: PT04130, Acetyl-CoA carboxylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01119, Acetyl-CoA carboxylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS