General Information of the Compound
Compound ID
CP0021052
Compound Name
1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyphenylcarboxamido)-4-methylbenzene
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Synonyms
208260-29-1
3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide
3-(dimethylamino)-N-[3-(4-hydroxybenzamido)-4-methylphenyl]benzamide
3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide
3-(dimethylamino)-N-{3-[(4-hydroxybenzoyl)amino]-4-methylphenyl}benzamide
Bio1_001346
CHEMBL186526
N-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamide
ZM 336372
ZM-336372
ZM336372
compound 1 [PMID: 15454231
n-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide
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Structure
Formula
C23H23N3O3
Molecular Weight
389.455
Canonical SMILES
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
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InChI
InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
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InChIKey
PYEFPDQFAZNXLI-UHFFFAOYSA-N
Physicochemical Property
logP
4.27122
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 5730
SID: 14780654
ChEMBL ID
CHEMBL186526
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: PT05364, Heat shock factor protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ZM-336372 )
Drug Name ZM-336372
Target(s)
Stress-activated protein kinase 2a (p38 alpha)
Inhibitor
LCK tyrosine protein kinase (LCK)
Inhibitor
Raf messenger RNA (Raf mRNA)
Inhibitor
B-Raf messenger RNA (BRAF mRNA)
Inhibitor