CHEBI:94800 - N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide
ChEBI ID CHEBI:94800
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H34N8O
Net Charge 0
Average Mass 462.591
Monoisotopic Mass 462.28556
InChI InChI=1S/C25H34N8O/c1-6-21(34)27-18-8-7-9-19(14-18)28-23-22-24(33(15-26-22)16(2)3)31-25(30-23)29-17-10-12-20(13-11-17)32(4)5/h6-9,14-17,20H,1,10-13H2,2-5H3,(H,27,34)(H2,28,29,30,31)
InChIKey DGEBYERMQBTMHV-UHFFFAOYSA-N
SMILES CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)NC(=O)C=C)NC4CCC(CC4)N(C)C
ChEBI Ontology
Outgoing N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-yl-6-purinyl]amino]phenyl]-2-propenamide (CHEBI:94800) is a 6-aminopurines (CHEBI:20706)
Manual Xref Database
LSM-5970 LINCS
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