139869 <common-name>DSP-5336</common-name> <description>DSP-5336 belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 590.74 g/mol, DSP-5336 is a heavy molecule. The chemical formula for this compound is C33H43FN6O3.</description> <cas>2412555-70-3</cas> <pubchem-id>146430058</pubchem-id> <chemical-formula>C33H43FN6O3</chemical-formula> <weight>590.7</weight> <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">2026-04-14T22:15:58Z</created-at> <updated-at type="dateTime">2026-08-22T11:12:23Z</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>DB18514</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)N(C(C)C)C(=O)C1=CC(F)=CC=C1OC1=CN=CN=C1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C(=C)C2</moldb-smiles> <moldb-formula>C33H43FN6O3</moldb-formula> <moldb-inchi>InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25-,29-/m0/s1</moldb-inchi> <moldb-inchikey>JQHJEDMMWUIYCE-FVVBACEJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">590.744</moldb-average-mass> <moldb-mono-mass type="decimal">590.338067432</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.48</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>CHEM135762</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>5-fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl}pyrimidin-5-yl)oxy]-N,N-bis(propan-2-yl)benzamide</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"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">75</paper-count> <sync-id>CED0020826</sync-id> <structure-inchikey>JQHJEDMMWUIYCE-FVVBACEJSA-N</structure-inchikey> <structure-fingerprint>40002000300000000000010200000000620004000000000000000080010002002000001000020000000000000000002000000100000000400100000000600000000000040000000202000020000000000020000000000130000000000001000000000020010000000100002000104000000000020100000000000000000000100000000048000004000000200000000000300800000000002400000000000000000000000004000000002240080000002000000000080000088100000000000100000000000000009000400000000000022000000000000000004200000080000000000000000000000040000000000400800000000020000900004000040000</structure-fingerprint> <structure-pattern-fingerprint>7116c00085328770c9887b71c1b8b2801a0014829117207080bd60408a34e84c6c220051138000480140492a40c80020056103adc08d32250bee6539c0a04114c7118c8d1a80360040921340127223004814d59151211f3741445f624422db85ac78452f184c9220440e8480ddd5004d348682720521c74631182e5682511b06104118184ef8820808070250482c0288391d9a524446be8a54270ca06440448401d3109711b2da300a044d68857c35344ac90652a961084010b04ab84cc00212a09110e4c4d90333198086a6575142990d41e01003687842cd7922802821030490386f3418890920134c8413d91620820650263094c3042f130090c05a080606</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������+���0���€���`�������`�������`�������(�������`�������`�������`�������(�������(������@(������@h�������@(����� � �����@h�������@h�������@(�������(������@(������@h�������@(������@h�������@(������@(�������(�������`������� ������`�������`�������`�������(�������`�������`�������(�������(������ 4��������`������ 4��������`�������`������ 4��������(�������h��������`�������������������������� ��(�� h� �h����� h� �h���h��� �� ��h���h���h���h���h��� ������������������������� !(� "�"#�#$�$%�%&�&'�'(�()��(*�� h���h����'"����*$�B���������� �� � ���������������#$%&'"�#$*('"�%&'(*$����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:51:06Z</structure-indexed-at> </compound>