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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24231
CHEMBL24231
Compound Name p-NITROPHENYLPHOSPHATE
ChEMBL Synonyms P-Nitrophenylphosphate | 4-Nitrophenyl Phosphate | 4-Nitrophenyl Dihydrogen Phosphate
Max Phase 0
Trade Names
Molecular Formula C6H6NO6P

Additional synonyms for CHEMBL24231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
Standard InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H, ...
Download InChI
Standard InChI Key XZKIHKMTEMTJQX-UHFFFAOYSA-N

Structural Alerts

There are 8 structural alerts for CHEMBL24231. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL24231

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
219.1 218.9933 1.23 3 122.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.86 - .39 -3.58 1 14 0.45

Compound Cross References

ChemSpider ChemSpider:XZKIHKMTEMTJQX-UHFFFAOYSA-N
Wikipedia Para-Nitrophenylphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24231



ACToR 330-13-2
BindinDB 24514
ChEBI 17440
DrugBank DB04214
eMolecules 1984979
Human Metabolome Database HMDB60272
IBM Patent System E9989032E947905AD09F53D3C04AA994
IBM Patents US5700666 EP1066395B1 US7002001 EP1119625B1 US4800155 US20020169198 US20080050406 US20020168782 US7070775 EP1442115B9 US20030049831 EP1578945A2 US20080233583 EP1898950B1 WO2004023973A2 US6001352 US5955341 EP1423403A2 WO1992017588A2 US6943282 US5320944 EP0304871A2 US5622935 US20030190321 US6426204 WO1993020449A1 WO1989009617A1 US20070032415 US6462032 US6531156 EP0596915A1 EP1212416A2 WO2004050900A2 US20080107652 US20060003380 EP0832970B1 US6617307 WO2007016912A1 WO1999035903A1 US7358063 EP1157041B1 EP2058004A1 US20060228330 US6492497 US7211649 US20050266422 US20100028335 US20090068178 US7083946 EP1003745A1 US20030017584 US20050053984 WO1992017186A1 EP1457495A1 US7078489 US20050208480 US20090325916 WO2008077145A2 WO2002068411A1 US20040265924 US6514950 US20100330074 EP0962530A2 WO2005047242A2 US20070238159 EP1519769A1 US20030103901 WO2001022994A2 EP1181954A2 EP0213082A1 US20020132759 US20030078389 US7144698 US20030092631 US20040197345 US20040121363 WO1999022242A2 WO2004082596A2 US7358087 EP0523130B2 US20060292146 US20080166755 US20030147870 US20040170620 WO2001075075A2 US20050112107 US5808036 US20030021783 WO1998046265A1 US7153670 US7514224 US20060166259 US20040132098 US20040265932 US5958732 WO2000056862A1 EP1581337A2 US5565326 US4719290 US20030039995
KEGG Ligand C03360
Mcule MCULE-5038636902
PDBe 4NP
PubChem 378
PubChem: Thomson Pharma 15220398
SureChEMBL SCHEMBL35320

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XZKIHKMTEMTJQX-UHFFFAOYSA-N spacer
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