29973 <common-name>Leptin</common-name> <description nil="true"/> <cas>169494-85-3</cas> <pubchem-id nil="true"/> <chemical-formula>C87H138N22O28S2</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">2016-05-26T00:45:46Z</created-at> <updated-at type="dateTime">2026-04-14T15:33:30Z</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>DB05098</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>[H][C@](N)(CC(C)C)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=NCC(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(CCSC)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CO)C(=O)N1CCC[C@@]1([H])C(O)=NCC(O)=N[C@@]([H])(CS)C(O)=O</moldb-smiles> <moldb-formula>C87H138N22O28S2</moldb-formula> <moldb-inchi>InChI=1S/C87H138N22O28S2/c1-41(2)27-48(88)72(121)97-50(18-21-65(89)112)73(122)93-36-68(115)95-61(38-110)84(133)104-54(28-42(3)4)77(126)98-52(20-23-67(91)114)75(124)106-59(33-70(117)118)82(131)100-53(24-26-139-11)76(125)102-55(29-43(5)6)78(127)105-58(32-46-35-92-49-16-13-12-15-47(46)49)81(130)99-51(19-22-66(90)113)74(123)101-56(30-44(7)8)79(128)107-60(34-71(119)120)83(132)103-57(31-45(9)10)80(129)108-62(39-111)86(135)109-25-14-17-64(109)85(134)94-37-69(116)96-63(40-138)87(136)137/h12-13,15-16,35,41-45,48,50-64,92,110-111,138H,14,17-34,36-40,88H2,1-11H3,(H2,89,112)(H2,90,113)(H2,91,114)(H,93,122)(H,94,134)(H,95,115)(H,96,116)(H,97,121)(H,98,126)(H,99,130)(H,100,131)(H,101,123)(H,102,125)(H,103,132)(H,104,133)(H,105,127)(H,106,124)(H,107,128)(H,108,129)(H,117,118)(H,119,120)(H,136,137)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1</moldb-inchi> <moldb-inchikey>NRYBAZVQPHGZNS-ZSOCWYAHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">2004.31</moldb-average-mass> <moldb-mono-mass type="decimal">2002.94923424</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM028868</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 nil="true"/> <moldb-polar-surface-area>868.1600000000007</moldb-polar-surface-area> <moldb-refractivity>536.2958999999996</moldb-refractivity> <moldb-polarizability>212.1244506933133</moldb-polarizability> <moldb-rotatable-bond-count>65</moldb-rotatable-bond-count> <moldb-acceptor-count>48</moldb-acceptor-count> <moldb-donor-count>30</moldb-donor-count> <moldb-pka-strongest-acidic>2.653685159902333</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>-9</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.86</moldb-alogps-logp> <moldb-alogps-logs>-4.44</moldb-alogps-logs> <moldb-alogps-solubility>7.20e-02 g/l</moldb-alogps-solubility> </compound>