General Information of the Compound
Compound ID
CP0825264
Compound Name
SID26726005
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Structure
Formula
C14H8ClNO4
Molecular Weight
289.674
Canonical SMILES
O=c1oc2ccc(Cl)cc2nc1/C=C(\O)c1ccco1
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InChI
InChI=1S/C14H8ClNO4/c15-8-3-4-12-9(6-8)16-10(14(18)20-12)7-11(17)13-2-1-5-19-13/h1-7,17H/b11-7-
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InChIKey
QKPZFMVTSNNDIS-XFFZJAGNSA-N
Physicochemical Property
logP
3.4905
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
76.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 135543163
ChEMBL ID
CHEMBL1311354
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 8349 nM
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