CHEBI:95081 - LSM-6333

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-6333
ChEBI ID CHEBI:95081
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H25ClN4O2S
Net Charge 0
Average Mass 456.990
Monoisotopic Mass 456.13867
InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m1/s1
InChIKey DNVXATUJJDPFDM-QGZVFWFLSA-N
SMILES CC1=C(SC2=C1C(=N[C@@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
ChEBI Ontology
Outgoing LSM-6333 (CHEBI:95081) is a tert-butyl ester (CHEBI:140402)
LSM-6333 (CHEBI:95081) is a organonitrogen heterocyclic compound (CHEBI:38101)
LSM-6333 (CHEBI:95081) is a organosulfur heterocyclic compound (CHEBI:38106)
Manual Xref Database
LSM-6333 LINCS
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Last Modified
09 March 2018