General Information of the Compound
Compound ID
CP0108813
Compound Name
N-hydroxy-2-[4-[methyl(quinazolin-4-yl)amino]phenoxy]acetamide
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Structure
Formula
C17H16N4O3
Molecular Weight
324.34
Canonical SMILES
CN(c1ccc(OCC(=O)NO)cc1)c1ncnc2ccccc12
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InChI
InChI=1S/C17H16N4O3/c1-21(17-14-4-2-3-5-15(14)18-11-19-17)12-6-8-13(9-7-12)24-10-16(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
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InChIKey
WKPDRDKNRMYFAG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2819
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
87.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 122550132
ChEMBL ID
CHEMBL3774793
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 = 432 nM
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