20638 <common-name>SAR102779</common-name> <description>SAR102779 belongs to the morpholines, a subclass of oxazinanes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C35H38Cl2FN3O7. With an average molecular weight of 702.60 g/mol, SAR102779 is a heavy molecule.</description> <cas>NOCAS_47387</cas> <pubchem-id>53316389</pubchem-id> <chemical-formula>C35H38Cl2FN3O7</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">2016-05-22T06:14:50Z</created-at> <updated-at type="dateTime">2026-04-03T01:25:22Z</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 nil="true"/> <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>OC(=O)CCC(O)=O.CC(O)=NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC(F)=CC=C1</moldb-smiles> <moldb-formula>C35H38Cl2FN3O7</moldb-formula> <moldb-inchi>InChI=1S/C31H32Cl2FN3O3.C4H6O4/c1-22(38)35-30(23-6-5-7-25(34)18-23)12-15-36(16-13-30)17-14-31(24-10-11-27(32)28(33)19-24)21-37(29(39)20-40-31)26-8-3-2-4-9-26;5-3(6)1-2-4(7)8/h2-11,18-19H,12-17,20-21H2,1H3,(H,35,38);1-2H2,(H,5,6)(H,7,8)/t31-;/m0./s1</moldb-inchi> <moldb-inchikey>XGCWGIQCKROJJU-YNMZEGNTSA-N</moldb-inchikey> <moldb-average-mass type="decimal">702.6</moldb-average-mass> <moldb-mono-mass type="decimal">701.2070841</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>34247235</chemspider-id> <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>CHEM019533</chemdb-id> <dsstox-id>DTXSID4047387</dsstox-id> <toxcast-id>47387</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015696</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>65.37</moldb-polar-surface-area> <moldb-refractivity>155.25369999999995</moldb-refractivity> <moldb-polarizability>60.351216962134124</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>5.433841874566355</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.364485938887912</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>5.61</moldb-alogps-logp> <moldb-alogps-logs>-6.14</moldb-alogps-logs> <moldb-alogps-solubility>4.25e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Oxazinanes</klass> <subklass>Morpholines</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0048515</sync-id> <structure-inchikey>XGCWGIQCKROJJU-YNMZEGNTSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000800000040000800002000000000000000000002000000000000200000400000000000000000000000800000000000000000840000000002040010000002080200000001000000400000000001800001201000000008000000030000400080002010000000000000000000040000100404800200080000000000000400222000000010000000000000080000081000000004000000000000008000020000000000000400000a100000200000000002008000000080000000000000000020010000000001000500200010000010000000040000400000040000000000400800000000000008000000000000000</structure-fingerprint> 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�����@h�������@h�������@h��������� ��(������������ ��(�� � �(����� � ���������������������� ��(��������� ��h���h���h���h���h����� h� !h�!"�!#h�#$�#%h�%&h��'�'(��)�)*h�*+h�+,�+-h�-.h�./h�(��/)h������h�&�h�B����� ��'(���������������� !#%&��*+-./)����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:08:12Z</structure-indexed-at> </compound>