General Information of the Compound
Compound ID
CP0470054
Compound Name
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methylidene]hydroxylamine
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Structure
Formula
C16H15NO
Molecular Weight
237.302
Canonical SMILES
Cc1ccc(\C=C\c2ccccc2\C=N\O)cc1
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InChI
InChI=1S/C16H15NO/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17-18/h2-12,18H,1H3/b11-10+,17-12+
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InChIKey
AJKHRDQAOMLQGN-SXSSDGSKSA-N
Physicochemical Property
logP
3.97352
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 142575088
ChEMBL ID
CHEMBL4755048
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: PT07116, Fibroblast growth factor 23
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 140 nM
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