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Concept information

Preferred term

ID14326  

Type

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

charge

  • 0

formula

  • C28H36N4O3S

inchi

  • InChI=1S/C28H36N4O3S/c33-25-20-9-10-21(25)24-23(20)27(34)32(28(24)35)16-18-6-2-1-5-17(18)15-30-11-13-31(14-12-30)26-19-7-3-4-8-22(19)36-29-26/h3-4,7-8,17-18,20-21,23-25,33H,1-2,5-6,9-16H2/t17-,18-,20?,21?,23?,24?,25?/m0/s1

inchikey

  • VKVBDORNIIAKBR-UJKUZCFGSA-N

mass

  • 508.680

monoisotopicmass

  • 508.25081

smiles

  • S1N=C(N2CCN(C[C@H]3[C@H](CN4C(=O)C5C6C(O)C(C5C4=O)CC6)CCCC3)CC2)C=7C1=CC=CC7

subset

  • 2_STAR

synonym EXACT

  • 4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-10-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169662

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