General Information of the Compound
Compound ID
CP0566554
Compound Name
5-[(2-bromo-6-hydroxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
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Formula
C14H10BrN3O2
Molecular Weight
332.157
Canonical SMILES
Oc1cccc(Br)c1\C=N\c1ccc2[nH]c(=O)[nH]c2c1
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InChI
InChI=1S/C14H10BrN3O2/c15-10-2-1-3-13(19)9(10)7-16-8-4-5-11-12(6-8)18-14(20)17-11/h1-7,19H,(H2,17,18,20)/b16-7+
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InChIKey
LSPGVPJYVLVLRJ-FRKPEAEDSA-N
Physicochemical Property
logP
3.0749
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
81.24
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL3335241
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: PT00859, Protein-tyrosine kinase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 24490 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1350 nM