General Information of the Compound
Compound ID
CP0454881
Compound Name
N-[(4-fluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide
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Structure
Formula
C13H18FNO2
Molecular Weight
239.29
Canonical SMILES
CCC(C)(C)C(=O)N(O)Cc1ccc(F)cc1
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InChI
InChI=1S/C13H18FNO2/c1-4-13(2,3)12(16)15(17)9-10-5-7-11(14)8-6-10/h5-8,17H,4,9H2,1-3H3
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InChIKey
GLWGFZKXQJABNT-UHFFFAOYSA-N
Physicochemical Property
logP
2.9797
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 121440051
ChEMBL ID
CHEMBL4063996
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: PT00954, Receptor-interacting serine/threonine-protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
EC50 = 64 nM
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