105407 <common-name>Timcodar</common-name> <description nil="true"/> <cas>179033-51-3</cas> <pubchem-id>9811664</pubchem-id> <chemical-formula>C43H45ClN4O6</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">2026-04-05T12:18:56Z</created-at> <updated-at type="dateTime">2026-05-14T19:25:33Z</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>DB12761</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>COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N(C)[C@@H](CC1=CC=C(Cl)C=C1)C(=O)N(CC1=CC=CC=C1)C(CCC1=CC=NC=C1)CCC1=CC=NC=C1</moldb-smiles> <moldb-formula>C43H45ClN4O6</moldb-formula> <moldb-inchi>InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1</moldb-inchi> <moldb-inchikey>MQSMWZHHUGSULF-QNGWXLTQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">749.31</moldb-average-mass> <moldb-mono-mass type="decimal">748.3027628</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.87</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>CHEM101300</chemdb-id> <dsstox-id>DTXSID80870142</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00070390</susdat-id> <iupac>(2S)-N-benzyl-N-[1,5-bis(pyridin-4-yl)pentan-3-yl]-3-(4-chlorophenyl)-2-[N-methyl-2-oxo-2-(3,4,5-trimethoxyphenyl)acetamido]propanamide</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>