PDB CCD ID: | T9H | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C31 H29 F N6 O4 S2 | ||||||||||||
InChI: | InChI=1S/C31H29FN6O4S2/c32-26-19-23(37-13-15-38(16-14-37)44(41,42)29-6-3-17-43-29)7-8-25(26)30(39)36-28(31(40)35-22-9-11-33-12-10-22)18-21-20-34-27-5-2-1-4-24(21)27/h1-12,17,19-20,28,34H,13-16,18H2,(H,36,39)(H,33,35,40)/t28-/m1/s1 | ||||||||||||
InChIKey: | NWMLUXULVUDWBD-MUUNZHRXSA-N | ||||||||||||
SMILES: |
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Name: | 2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide | ||||||||||||
ZINC: | ZINC000098209438 |