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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

sd-06  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C20H20ClN5O2

inchi

  • InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)

inchikey

  • CATQHDWESBRRQA-UHFFFAOYSA-N

mass

  • 397.859

monoisotopicmass

  • 397.13055

smiles

  • C=1(C2=CC=C(Cl)C=C2)NN=C(C1C3=CC=NC=N3)C4CCN(CC4)C(=O)CO

subset

  • 3_STAR

synonym EXACT

  • 1-{4-[5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethanone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:82712

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