PDB CCD ID: | 1T6 | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C31 H28 N4 O3 | ||||||||||||
InChI: | InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31+/m0/s1 | ||||||||||||
InChIKey: | DPAVVGLNAXECAW-JTSJOTPCSA-N | ||||||||||||
SMILES: |
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Name: | 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid | ||||||||||||
ChEMBL: | CHEMBL3127473 | ||||||||||||
ZINC: | ZINC000013977893 |