General Information of the Compound
Compound ID
CP0566515
Compound Name
methyl (2E)-2-methoxyimino-2-[2-[[3-[(E)-methoxyiminomethyl]phenoxy]methyl]phenyl]acetate
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Structure
Formula
C19H20N2O5
Molecular Weight
356.378
Canonical SMILES
CO\N=C\c1cccc(OCc2ccccc2\C(=N/OC)C(=O)OC)c1
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InChI
InChI=1S/C19H20N2O5/c1-23-19(22)18(21-25-3)17-10-5-4-8-15(17)13-26-16-9-6-7-14(11-16)12-20-24-2/h4-12H,13H2,1-3H3/b20-12+,21-18+
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InChIKey
DAZNAXDNTJQZML-HMGLBJTLSA-N
Physicochemical Property
logP
2.7694
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
78.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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: 137659032
ChEMBL ID
CHEMBL4098915
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: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 3400 nM
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