314617 <common-name>1-(3-chlorophenyl)-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]urea</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3070404</pubchem-id> <chemical-formula>C18H28ClN3O2</chemical-formula> <weight>353.9</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">2026-08-29T11:43:14Z</created-at> <updated-at type="dateTime">2026-08-29T11:43:14Z</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 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>CC(C)COCC(CNC(=O)NC1=CC(=CC=C1)Cl)N2CCCC2</moldb-smiles> <moldb-formula>C18H28ClN3O2</moldb-formula> <moldb-inchi>InChI=1S/C18H28ClN3O2/c1-14(2)12-24-13-17(22-8-3-4-9-22)11-20-18(23)21-16-7-5-6-15(19)10-16/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3,(H2,20,21,23)</moldb-inchi> <moldb-inchikey>PMFRZMAWMDQLEY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">353.1870048</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM310510</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>1-(3-chlorophenyl)-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]urea</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>N-phenylureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0265502</sync-id> <structure-inchikey>PMFRZMAWMDQLEY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000200004000000400008104000080000000020000001000000880000000000000000000000000000000000000000000000000000000000000400000008002000000000020000000000101000000000000000000000000010000000000000000100000010000020100000000000000000000400801000040000000800000000080000080000002000000000000000000004000000000000000000000000000080000000000000000000000008000000000000000000000000200000000000000000004000010000000000000000200000000000000008000000100000040000280000400000000000000000682000000000000</structure-fingerprint> <structure-pattern-fingerprint>500000000912060080000100010820000000040000052000003420400200080c4006085400800000000041080080000004200025008c30010000643000b04000c6110400029004100090100000620000000405805001003240000422000209000c200526004002002000100055340000200080500101e0045118202002310002104000180ee0800808020240082c0008111c0812440014020000080000c00084804310000018c00000000840017c27100ac00000884108401803021008400a100010028404400022018002000445028000040000420048200d0000040801030000000812000000000000000010122000001000308242002e0008008050010402</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������`�������`�������`�������h��������(�������(�������h�������@(������@h�������@(������@h�������@h�������@h�������� ������ ������`�������`�������`�������`������������������������������� (� � �� � h� �h���h���h���h���������������������h����B����� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:01Z</structure-indexed-at> </compound>