General Information of the Compound
Compound ID
CP0510675
Compound Name
2,4,6-trihydroxy-N-propan-2-ylbenzamide
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Structure
Formula
C10H13NO4
Molecular Weight
211.217
Canonical SMILES
CC(C)NC(=O)c1c(O)cc(O)cc1O
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InChI
InChI=1S/C10H13NO4/c1-5(2)11-10(15)9-7(13)3-6(12)4-8(9)14/h3-5,12-14H,1-2H3,(H,11,15)
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InChIKey
QMIHXCYZYRVNEY-UHFFFAOYSA-N
Physicochemical Property
logP
0.9416
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
89.79
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 134148607
ChEMBL ID
CHEMBL3937206
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: PT02255, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 92600 nM
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