General Information of the Compound
Compound ID
CP0165061
Compound Name
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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Structure
Formula
C19H22N4O4
Molecular Weight
370.409
Canonical SMILES
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)NC(C)C)c2n1
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InChI
InChI=1S/C19H22N4O4/c1-10(2)22-19(24)12-8-20-18-16(12)23-13(9-21-18)11-6-14(25-3)17(27-5)15(7-11)26-4/h6-10H,1-5H3,(H,20,21)(H,22,24)
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InChIKey
WWUBOSRORWJGRU-UHFFFAOYSA-N
Physicochemical Property
logP
2.7889
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
98.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 44205381
SID: 85205258
ChEMBL ID
CHEMBL2348850
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: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM
2 IC50 = 7090 nM