| PDB CCD ID: | XKG |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C24 H27 N3 O3 |
| InChI: | InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+ |
| InChIKey: | MCMSJVMUSBZUCN-YYDJUVGSSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | Cc1cc(c(c(c1)C)\N=C4/C=C3c2c(cc(c(c2)OC)OC)CCN3C(=O)N4C)C | | CACTVS 3.385 | COc1cc2CCN3C(=O)N(C)C(C=C3c2cc1OC)=Nc4c(C)cc(C)cc4C | | OpenEye OEToolkits 2.0.7 | Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C | | OpenEye OEToolkits 2.0.7 | Cc1cc(c(c(c1)C)N=C2C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C |
|
| Name: | (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one;
Trequinsin |
| ChEMBL: | CHEMBL285913 |
| ZINC: | ZINC000100001979 |
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