CHEBI:79978 - PD 123177

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name PD 123177
ChEBI ID CHEBI:79978
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H28N4O3
Net Charge 0
Average Mass 480.55760
Monoisotopic Mass 480.21614
InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)
InChIKey KLVDUSUYBDMJKR-UHFFFAOYSA-N
SMILES Cc1cc(Cn2cnc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
ChEBI Ontology
Outgoing PD 123177 (CHEBI:79978) is a diarylmethane (CHEBI:51614)
Manual Xref Database
C15552 KEGG COMPOUND
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Registry Number Type Source
114785-12-5 CAS Registry Number KEGG COMPOUND