141003 <common-name>Cemadotin</common-name> <description>Cemadotin belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. It is classified under the superclass of organic acids and derivatives and has the chemical formula C35H56N6O5. With an average molecular weight of 640.87 g/mol, Cemadotin is a heavy molecule.</description> <cas>159776-69-9</cas> <pubchem-id>9812632</pubchem-id> <chemical-formula>C35H56N6O5</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">2026-04-15T17:12:24Z</created-at> <updated-at type="dateTime">2026-05-14T20:27:14Z</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>DB20154</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>CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C35H56N6O5</moldb-formula> <moldb-inchi>InChI=1S/C35H56N6O5/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-25/h10-12,15-16,22-24,26-30H,13-14,17-21H2,1-9H3,(H,36,42)(H,37,43)/t26-,27+,28-,29-,30-/m0/s1</moldb-inchi> <moldb-inchikey>XSAKVDNHFRWJKS-IIZANFQQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">640.87</moldb-average-mass> <moldb-mono-mass type="decimal">640.431218927</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>CHEM136896</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 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"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Peptidomimetics</klass> <subklass>Hybrid peptides</subklass> <paper-count type="integer">47</paper-count> <sync-id>CED0023851</sync-id> <structure-inchikey>XSAKVDNHFRWJKS-IIZANFQQSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000080000008040000000000000000004400000000002001000000100000000000000000200000000400000000000042000a000000800010800010000000000440000008000080020020000000004000000000000000000000000000010000000000000000004000000000020101000000000400000000100800000040220000800000020000000080100000000100000000000800000000000000000004000000000000080000010000000000000020008000000000002100000000040000000002040000000000000000800000000000000220004400000000000000000000000040000000000400000002000001000000000000000000</structure-fingerprint> 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