General Information of the Compound
Compound ID
CP0803950
Compound Name
SID26658457
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Structure
Formula
C24H23N3O2
Molecular Weight
385.467
Canonical SMILES
Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1O
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InChI
InChI=1S/C24H23N3O2/c28-22-10-9-17(15-23(22)29)16-25-27-13-11-26(12-14-27)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24,28-29H,11-14H2/b25-16+
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InChIKey
GKLQFLINJRNJOX-PCLIKHOPSA-N
Physicochemical Property
logP
3.8193
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
59.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 135630063
ChEMBL ID
CHEMBL3196363
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 = 5677 nM
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