<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">138918</id>
  <title nil="true"/>
  <common-name>PP-F11N lutetium Lu-177</common-name>
  <description nil="true"/>
  <cas>1771736-69-6</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C90H120LuN19O35</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-14T21:28:20Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:03:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB17503</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[177Lu+3].CCCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O</moldb-smiles>
  <moldb-formula>C90H120LuN19O35</moldb-formula>
  <moldb-inchi>InChI=1S/C90H123N19O35.Lu/c1-3-4-13-56(83(137)105-66(42-75(125)126)90(144)103-63(79(91)133)39-50-10-6-5-7-11-50)97-89(143)65(41-52-43-92-55-14-9-8-12-54(52)55)96-67(111)44-93-81(135)64(40-51-15-17-53(110)18-16-51)104-80(134)49(2)94-82(136)58(20-26-70(115)116)98-85(139)60(22-28-72(119)120)100-87(141)62(24-30-74(123)124)102-88(142)61(23-29-73(121)122)101-86(140)59(21-27-71(117)118)99-84(138)57(19-25-69(113)114)95-68(112)45-106-31-33-107(46-76(127)128)35-37-109(48-78(131)132)38-36-108(34-32-106)47-77(129)130;/h5-12,14-18,43,49,56-66,92,110H,3-4,13,19-42,44-48H2,1-2H3,(H2,91,133)(H,93,135)(H,94,136)(H,95,112)(H,96,111)(H,97,143)(H,98,139)(H,99,138)(H,100,141)(H,101,140)(H,102,142)(H,103,144)(H,104,134)(H,105,137)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132);/q;+3/p-3/t49-,56-,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-;/m0./s1/i;1+2</moldb-inchi>
  <moldb-inchikey>DTEPIUGEQLNRHF-XMGMVKEQSA-K</moldb-inchikey>
  <moldb-average-mass type="decimal">2204.992</moldb-average-mass>
  <moldb-mono-mass type="decimal">2203.763176627</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-6.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM134811</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(177Lu)lutetium(3+) 2-[4-({[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}methyl)-7,10-bis(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
