General Information of the Compound
Compound ID
CP0416674
Compound Name
N'-hydroxy-N-[4-hydroxy-3-(phenylcarbamoyl)phenyl]heptanediamide
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Structure
Formula
C20H23N3O5
Molecular Weight
385.42
Canonical SMILES
ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccccc1
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InChI
InChI=1S/C20H23N3O5/c24-17-12-11-15(21-18(25)9-5-2-6-10-19(26)23-28)13-16(17)20(27)22-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,24,28H,2,5-6,9-10H2,(H,21,25)(H,22,27)(H,23,26)
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InChIKey
CTFXASBXMZFWNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.0389
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
127.76
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 70681934
ChEMBL ID
CHEMBL2047015
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 2340 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 5850 nM
   TI
   LI
   LO
   TS