General Information of the Compound
Compound ID
CP0226157
Compound Name
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
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Structure
Formula
C18H18N4O3
Molecular Weight
338.367
Canonical SMILES
CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
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InChI
InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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InChIKey
MPMPKDWQOVDGGV-UHFFFAOYSA-N
Physicochemical Property
logP
2.59032
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
87.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 122550234
ChEMBL ID
CHEMBL3775521
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 171 nM
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