General Information of the Compound
Compound ID
CP0283985
Compound Name
N-propan-2-yl-2-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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Structure
Formula
C20H26N6O
Molecular Weight
366.469
Canonical SMILES
CC(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2CCC(C)(C)Cc12
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InChI
InChI=1S/C20H26N6O/c1-11(2)23-19(27)13-9-21-18-17(13)24-14(10-22-18)16-12-8-20(3,4)7-6-15(12)26(5)25-16/h9-11H,6-8H2,1-5H3,(H,21,22)(H,23,27)
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InChIKey
ZXXNBFFJFLSAHW-UHFFFAOYSA-N
Physicochemical Property
logP
3.0115
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
88.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 71280420
SID: 163618996
ChEMBL ID
CHEMBL2347995
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 = 738 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 132 nM