PDB CCD ID: | A1H73 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C26 H20 F3 N5 O2 |
InChI: | InChI=1S/C26H20F3N5O2/c27-15-3-1-14(2-4-15)12-33-8-7-26(25(33)36)19-6-5-16(28)9-18(19)24(35)34(26)13-17-10-21-22(31-17)11-20(29)23(30)32-21/h1-6,9-11,31H,7-8,12-13H2,(H2,30,32)/t26-/m0/s1 |
InChIKey: | BJIUKEMXFQJDBZ-SANMLTNESA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN2CCC3(C2=O)c4ccc(cc4C(=O)N3Cc5cc6c([nH]5)cc(c(n6)N)F)F)F | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN2CC[C@@]3(C2=O)c4ccc(cc4C(=O)N3Cc5cc6c([nH]5)cc(c(n6)N)F)F)F | CACTVS 3.385 | Nc1nc2cc(CN3C(=O)c4cc(F)ccc4[C]35CCN(Cc6ccc(F)cc6)C5=O)[nH]c2cc1F | CACTVS 3.385 | Nc1nc2cc(CN3C(=O)c4cc(F)ccc4[C@]35CCN(Cc6ccc(F)cc6)C5=O)[nH]c2cc1F |
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Name: | (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione |