CHEBI:102454 - LSM-13805

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13805
ChEBI ID CHEBI:102454
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H28N6O4
Net Charge 0
Average Mass 488.539
Monoisotopic Mass 488.21720
InChI InChI=1S/C26H28N6O4/c1-2-10-29-24(34)22-19(14-33)21-13-31-20(9-8-18(25(31)35)16-11-27-15-28-12-16)23(22)32(21)26(36)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21-23,33H,2,10,13-14H2,1H3,(H,29,34)(H,30,36)/t19-,21-,22+,23+/m1/s1
InChIKey NNSFVWHQEZSLFM-LGKPFJOYSA-N
SMILES CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]1N2C(=O)NC5=CC=CC=C5)CO
ChEBI Ontology
Outgoing LSM-13805 (CHEBI:102454) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13805 LINCS
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