CHEBI:116944 - 4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester

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ChEBI Name 4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester
ChEBI ID CHEBI:116944
Stars This entity has been manually annotated by a third party.
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Formula C25H23N5O4
Net Charge 0
Average Mass 457.482
Monoisotopic Mass 457.17500
InChI InChI=1S/C25H23N5O4/c1-15-2-4-17(5-3-15)22-21-20(19(14-26)23(27)34-24(21)29-28-22)16-6-8-18(9-7-16)33-25(31)30-10-12-32-13-11-30/h2-9,20H,10-13,27H2,1H3,(H,28,29)
InChIKey JNPCRCODXQBALQ-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)OC(=O)N5CCOCC5
ChEBI Ontology
Outgoing 4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester (CHEBI:116944) is a pyranopyrazole (CHEBI:131903)
4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester (CHEBI:116944) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-28393 LINCS
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Last Modified
11 May 2016