General Information of the Compound
Compound ID
CP0124567
Compound Name
2-Chloro-5-nitrobenzanilide
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Synonyms
(2-chloro-5-nitrophenyl)-N-benzamide
2-Chloro-5-nitro-N-4-phenylbenzamide
2-Chloro-5-nitro-N-phenyl-benzamide
2-Chloro-5-nitro-N-phenylbenzamide
2-Chloro-5-nitrobenzanilide
2-chloro-5-nitro-N-phenylbenzamide
22978-25-2
AC1LD8S0
BSPBio_001021
CHEBI:79993
CHEMBL375270
DSSTox_CID_20723
DSSTox_GSID_40723
DSSTox_RID_79570
GTPL3442
GW 9662
GW-9662
GW9662
KBioGR_000361
KBioSS_000361
Lopac-M-6191
Lopac0_000798
MLS001056751
SCHEMBL420231
SMR000326735
SR-01000075999
Spectrum5_001989
Tocris-1508
benzamide, 2-chloro-5-nitro-N-phenyl-
cid_644213
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Structure
Formula
C13H9ClN2O3
Molecular Weight
276.679
Canonical SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1
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InChI
InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
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InChIKey
DNTSIBUQMRRYIU-UHFFFAOYSA-N
CAS
22978-25-2
Physicochemical Property
logP
3.5005
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
72.24
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: 644213
SID: 14824325
ChEMBL ID
CHEMBL375270
DrugBank ID
DB07863
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 14689.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-chloro-5-nitro-N-phenylbenzamide )
Drug Name 2-chloro-5-nitro-N-phenylbenzamide
Target(s)
PPAR-gamma messenger RNA (PPARG mRNA)
 Target Info 
Inhibitor
Retinoic acid receptor RXR-alpha (RXRA)
 Target Info 
Inhibitor
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
 Target Info 
Inhibitor