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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 CHEMBL20936 CHEMBL1795037 CHEMBL537204 CHEMBL1528282
DrugBank DB03127
PDBe BEN BAM
Guide to Pharmacology 7566
KEGG Ligand C01784
ChEBI 41033
ZINC ZINC00036634
eMolecules 479296 507782 479297
IBM Patent System 35239EB237211B8FC0E6B45034B97FB4 F9F9FDEE467E6B8182DC7A7D186D80B9 5CB922B973798E689E1696172EBC9E86 058A4997A4AA49394883DA7EA2E5522E 09E20B10ABFF1E9C0A733576BE1FD0B5 F3D0B52776895928ABFC43EEE38C73B1
FDA SRS KUE3ZY3J1F 0G112W4L27
SureChEMBL SCHEMBL4591561 SCHEMBL6971948 SCHEMBL11393583 SCHEMBL7799462 SCHEMBL4293941 SCHEMBL5238261 SCHEMBL3427811 SCHEMBL11315861 SCHEMBL4606883 SCHEMBL8719976 SCHEMBL7363914 SCHEMBL9040332 SCHEMBL9123469 SCHEMBL5522150 SCHEMBL4591560 SCHEMBL428760 SCHEMBL2781806 SCHEMBL6013427 SCHEMBL6823484 SCHEMBL9207 SCHEMBL2701159 SCHEMBL4399664 SCHEMBL11657095 SCHEMBL11628440 SCHEMBL6394564 SCHEMBL10553901 SCHEMBL16467577 SCHEMBL8533873 SCHEMBL3378018 SCHEMBL7051240 SCHEMBL2877747 SCHEMBL4606882 SCHEMBL7366537 SCHEMBL650254 SCHEMBL5241617 SCHEMBL7767801 SCHEMBL10582918 SCHEMBL3898812 SCHEMBL10711784 SCHEMBL482740 SCHEMBL7359774 SCHEMBL2810507 SCHEMBL5494618 SCHEMBL3497005 SCHEMBL8983063 SCHEMBL61379 SCHEMBL6861235 SCHEMBL2324435 SCHEMBL10816513 SCHEMBL7370117 SCHEMBL7103811 SCHEMBL596593 SCHEMBL2456187
PubChem: Thomson Pharma 15218879 15946760 16899072 16056614
PubChem 17788690 87526413 56659112 19936804 69106268 70192566 20560175 22563527 70067110 117874113 10997293 21269102 18767498 20563177 69112610 87647428 87848726 67532571 22052946 21848957 87925944 20533832 112756318 69907770 66683529 2332 90888781 87664079 70628325 88808535 12238987 69764657 66824376 10898949 68425163 53313245 69971300 69112609 66700109 20163530 70065709 87517892 70068011 12238991 88198659 91574042 20031713 66757336 70425588 90720508 70069196 21747190 69463015 22667249 87535322 67742848 80289 88318782 67364217 66738716 229072 90704657 12238985 445539 16219042 54269791 67415490 444655 58049682
Mcule MCULE-3828251614 MCULE-1587481203
NMRShiftDB 20213318
ACToR 618-39-3 143504-23-8 1670-14-0 7152-36-5 206752-36-5
MolPort MolPort-000-001-395 MolPort-001-011-631 MolPort-001-759-852
Nikkaji J95.743G J1.117.903G
BindingDB 50038002 772
EPA CompTox Dashboard DTXSID8045012 DTXSID40481894 DTXSID9044401 DTXSID70585091 DTXSID00281670

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