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CHEBI:755391 - at-13148

Default Structure
ChEBI IDCHEBI:755391
ChEBI Nameat-13148
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC17H16ClN3O
Net Charge0
Average Mass313.788
Monoisotopic Mass313.09819
SMILESNC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cnnc2)cc1
InChIInChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
InChIKeyIIRWNGPLJQXWFJ-KRWDZBQOSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
at-13148 (CHEBI:755391) has role antineoplastic agent (CHEBI:35610)
at-13148 (CHEBI:755391) is a diarylmethane (CHEBI:51614)
Synonyms  Source
At-13148ChEMBL
AT13148ChEMBL
Citations