General Information of the Compound
Compound ID
CP0387994
Compound Name
2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
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Synonyms
2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
916888-66-9
ACN-025269
AJ-110396
AK136241
AKOS022171752
BC261397
BDBM50301057
CHEMBL576820
DS-5323
DTXSID60474965
KB-222046
KS-00000RND
MF-152
MolPort-035-675-701
SC-94064
SCHEMBL3467167
ZINC45288748
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Structure
Formula
C16H15F3N4O2S
Molecular Weight
384.383
Canonical SMILES
NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
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InChI
InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)
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InChIKey
XCYAUDKMHBMJSP-UHFFFAOYSA-N
Physicochemical Property
logP
2.2232
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
79.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 11973722
SID: 17425556
ChEMBL ID
CHEMBL576820
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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 254 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MF-152 )
Drug Name MF-152
Target(s)
Acyl-CoA desaturase (SCD)
Inhibitor