General Information of the Compound
Compound ID
CP0159500
Compound Name
2-(6-chloro-1-methylindazol-3-yl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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Structure
Formula
C18H17ClN6O
Molecular Weight
368.828
Canonical SMILES
CC(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(Cl)ccc12
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InChI
InChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26)
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InChIKey
QROQIIGDSDRLDZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3032
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
88.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 71279939
SID: 163618368
ChEMBL ID
CHEMBL2348852
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 = 512 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 36 nM
2 IC50 = 16600 nM