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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key PXXJHWLDUBFPOL-UHFFFAOYSA-N

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL537204 CHEMBL20936 CHEMBL1528282 CHEMBL1795037
DrugBank DB03127
PDBe BEN BAM
Guide to Pharmacology 7566
KEGG Ligand C01784
ChEBI 41033
ZINC ZINC000000036634
eMolecules 507782 479296 479297
IBM Patent System 09E20B10ABFF1E9C0A733576BE1FD0B5 058A4997A4AA49394883DA7EA2E5522E F9F9FDEE467E6B8182DC7A7D186D80B9 5CB922B973798E689E1696172EBC9E86 35239EB237211B8FC0E6B45034B97FB4 F3D0B52776895928ABFC43EEE38C73B1
FDA SRS 0G112W4L27 KUE3ZY3J1F
SureChEMBL SCHEMBL4591560 SCHEMBL428760 SCHEMBL2877747 SCHEMBL4606882 SCHEMBL2810507 SCHEMBL9207 SCHEMBL5494618 SCHEMBL6394564 SCHEMBL2324435 SCHEMBL6861235 SCHEMBL2701159 SCHEMBL7051240 SCHEMBL3497005 SCHEMBL482740 SCHEMBL4591561 SCHEMBL6823484 SCHEMBL7370117 SCHEMBL61379 SCHEMBL16467577 SCHEMBL10816513 SCHEMBL7359774 SCHEMBL6971948 SCHEMBL8983063 SCHEMBL2781806 SCHEMBL6013427 SCHEMBL8533873 SCHEMBL596593 SCHEMBL5241617 SCHEMBL4293941 SCHEMBL8719976 SCHEMBL7363914 SCHEMBL9123469 SCHEMBL11315861 SCHEMBL4606883 SCHEMBL7103811 SCHEMBL10553901 SCHEMBL7767801 SCHEMBL11393583 SCHEMBL7799462 SCHEMBL9040332 SCHEMBL10582918 SCHEMBL5238261 SCHEMBL4399664 SCHEMBL11657095 SCHEMBL11628440 SCHEMBL3378018 SCHEMBL3427811 SCHEMBL7366537 SCHEMBL3898812 SCHEMBL5522150 SCHEMBL10711784 SCHEMBL650254 SCHEMBL2456187
PubChem: Thomson Pharma 15946760 16056614 16899072 15218879
PubChem 19936804 66700109 87535322 22052946 67742848 129868231 88318782 21747190 69112609 2332 69463015 69971300 66683529 53313245 68425163 21848957 129858299 67532571 10997293 10898949 70069196 80289 66824376 117874113 90704657 90720508 112756318 20533832 87925944 70065709 20163530 69106268 69907770 68511328 12238987 12238991 87647428 20563177 91574042 70067110 20031713 22563527 69112610 445539 12238985 229072 21269102 18767498 88198659 70192566 20560175 87848726 70425588 66738716 87517892 88808535 16219042 67364217 22667249 69764657 70628325 17788690 56659112 66757336 70068011 87526413 90888781 87664079 67415490 444655 58049682
Mcule MCULE-1587481203 MCULE-3828251614
NMRShiftDB 20213318
ACToR 1670-14-0 143504-23-8 618-39-3 7152-36-5 206752-36-5
MolPort MolPort-001-011-631 MolPort-000-001-395 MolPort-001-759-852
Nikkaji J95.743G J1.117.903G
BindingDB 50038002 772
EPA CompTox Dashboard DTXSID9044401 DTXSID8045012 DTXSID40481894 DTXSID70585091 DTXSID00281670
Brenda 47073 29765 579

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/PXXJHWLDUBFPOL-UHFFFAOYSA-N/0/0/4
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