General Information of the Compound
Compound ID
CP0128204
Compound Name
4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
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Synonyms
2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide
2,1,3-benzoxadiazole, 7-(4-methyl-1-piperazinyl)-4-nitro-, 1-oxide
4-(4-Methyl-1-piperazinyl)-7-nitro-benzofurazan 3-oxide
4-(4-methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole, 3-oxide
4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
4-(4-methylpiperazin-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium
4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
4-(hydroxy(oxido)amino)-7-(4-methyl-1-piperazinyl)-2,15,3-benzoxadiazol-1-ol
58131-57-0
7-(4-Methyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide
7-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazole 1-oxide
7-(4-methylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium
A4209
B2368
BCP0726000315
BCP9000997
BDBM51256
BENZOFURAZAN, 7-(4-METHYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE
Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide
CHEMBL1608727
CS-0003525
DTXSID50206858
HMS2861M23
HY-14714
MLS000756495
MLS006011023
NCGC00246958-01
NCGC00246958-02
NCGC00246958-03
NCI60_001741
NCIStruc1_000831
NCIStruc2_001869
NSC 179940
NSC 207895
NSC 207895 (XI-006)
NSC-207895
NSC-207895 (XI-006)
NSC-207895 - XI-006
NSC-207895?XI-006?
NSC179940
NSC207895
NSC?207895?(XI-006)
SCHEMBL8738959
SMR000528763
WLN: T56 BNONJ BO FNW I- AT6N DNTJ D1
X7598
XI-006
XI006
Z-3234
ZINC5180959
cc-262
cid_42640
s2678
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Structure
Formula
C11H13N5O4
Molecular Weight
279.256
Canonical SMILES
CN1CCN(CC1)c1[cH-]cc([N+]([O-])=O)[c+]2[n-]o[n+](=O)c12
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InChI
InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3
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InChIKey
MWFZDJLPWDCQIL-UHFFFAOYSA-N
Physicochemical Property
logP
-0.0355
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
99.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 42640
ChEMBL ID
CHEMBL1608727
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 ~ 231.1 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 ~ 2909.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 25929 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NSC-207895 )
Drug Name NSC-207895
Indication
Solid tumour/cancer
Preclinical
Target(s)
p53-binding protein Mdm4 (MDM4)
 Target Info 
Inhibitor