| PDB CCD ID: | QS3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H16 Cl N3 O3 |
| InChI: | InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/s1 |
| InChIKey: | JBTXEVNTEFVYSG-NRFANRHFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1C(=O)N(C(=O)[C@@]12CCOc3ccc(Cl)cc23)c4cncc5ccccc45 | | OpenEye OEToolkits 2.0.7 | CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 | | CACTVS 3.385 | CN1C(=O)N(C(=O)[C]12CCOc3ccc(Cl)cc23)c4cncc5ccccc45 | | ACDLabs 12.01 | Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1 | | OpenEye OEToolkits 2.0.7 | CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
|
| Name: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
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