PDB CCD ID: | XWV | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C22 H25 N5 O2 S | ||||||||||||
InChI: | InChI=1S/C22H25N5O2S/c1-15-14-29-11-10-27(15)20-12-19(22(7-8-22)30(2,23)28)25-21(26-20)18-5-3-4-16-13-24-9-6-17(16)18/h3-6,9,12-13,15,23H,7-8,10-11,14H2,1-2H3/t15-,30-/m1/s1 | ||||||||||||
InChIKey: | QKKJIBZPNHULHG-DHMKHTPVSA-N | ||||||||||||
SMILES: |
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Name: | 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline |