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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1163500
CHEMBL1163500
Compound Name
ChEMBL Synonyms N6-Isopentenyladenosine
Max Phase 0
Trade Names
Molecular Formula C15H21N5O4

Additional synonyms for CHEMBL1163500 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)CCNc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Standard InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-1 ...
Download InChI
Standard InChI Key XKOPXXUOWZQFQE-SDBHATRESA-N

Structural Alerts

There are 2 structural alerts for CHEMBL1163500. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1163500

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
335.4 335.1594 0.06 6 125.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 3.39 1.04 1.04 2 24 0.55

Compound Cross References

ChemSpider ChemSpider:XKOPXXUOWZQFQE-SDBHATRESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1163500



ChEBI 60283
IBM Patent System 71D1782E974209E11CC40BA4DD0C3A6A
IBM Patents US7285656 US5514546 EP2142673A1 US20030171279 EP1561814A1 EP1871726A2 EP1654381A1 US20040033602 EP0981646A1 WO2005020892A2 US20080125346 US20100216164 WO2002060412A2 WO1996017954A1 US20040058373 WO2006017522A2 US20090202573 US20070122830 US20060240462 EP1887081A2 WO2003050311A2 US20060205052 WO2000026226A1 US20040235773 WO2003106631A2 EP0594578B1 US20100135904 WO2009095226A2 US7332469 US20070298445 WO2009030254A1 EP1221615A2 US20070231810 US5807718 US20030232375 WO2009046739A1 US20080199870 US20100196900 WO1996029097A1 US6846809 US6596701 WO2004048937A2 US20050064430 EP1955058A2 WO2001029249A2 US7595304 US5674683 US20060292669 US6994963 US20090239216 US7062385 US6962788 WO2005021763A2 WO2007011946A2 US20070243548 WO2000044398A2 EP1784405A1 WO2005094356A2 WO2003102141A2 US20040023266 US20020045167 US20090264635 US20090232833 US6013510 US5595873 EP1944321A2 US20030032078 US20090312399 US7332591 EP0462621A3 US20040248838 EP1878804A1 EP0792375A1 US20030219386 EP1644516A1 US5292725 EP2121969A1 US5872105 US20080311658 WO2008116094A2 US20100184039 EP0506892B1 EP1561814B1 EP1374890A2 US20060073475 US7514549 EP2176408A2 US20020151060 WO2005005658A1 US5985569 WO2003089666A2 US20090324610 US7338799 WO2007090345A1 EP2066817A1 WO2008110585A3 EP1644519A1 EP1948822A1 US20100279286 US20050260642
Nikkaji J120.776H
PubChem 11256139
PubChem: Thomson Pharma 16341526
SureChEMBL SCHEMBL65315

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