PDB CCD ID: | 2CA | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C26 H30 N4 O6 S | ||||||||||||
InChI: | InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1 | ||||||||||||
InChIKey: | VBPPNJCVXGAZDD-PMACEKPBSA-N | ||||||||||||
SMILES: |
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Name: | BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | ||||||||||||
ChEMBL: | CHEMBL286364 | ||||||||||||
DrugBank: | DB03642 | ||||||||||||
ZINC: | ZINC000003934226 |