General Information of the Compound
Compound ID
CP0447158
Compound Name
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
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Synonyms
2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
300851-67-6
4-CMTB
4-CMTB, &gt
4-chloro- -(1-methylethyl)-N-2-thiazolylbenzeneacetamide
AC1N7SQ9
AC1Q1O0T
AKOS001033996
AKOS016375538
AOB5572
BDBM50305973
CHEBI:113043
CHEMBL610463
Enamine_000061
GTPL5500
HMS1394C17
HMS2644I21
MCULE-6415878091
MLS001018069
MolPort-000-514-794
Oprea1_875848
SCHEMBL16369644
SMR000354300
SR-01000025543
SR-01000025543-1
Z28173527
cid_4307629
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Structure
Formula
C14H15ClN2OS
Molecular Weight
294.807
Canonical SMILES
CC(C)C(C(=O)Nc1nccs1)c1ccc(Cl)cc1
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InChI
InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)
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InChIKey
AZYDQCGCBQYFSE-UHFFFAOYSA-N
Physicochemical Property
logP
4.1748
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 4307629
ChEMBL ID
CHEMBL610463
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: PT04096, Free fatty acid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 9200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-CMTB )
Drug Name 4-CMTB