| PDB CCD ID: | NKJ |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C19 H19 N5 O2 |
| InChI: | InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1 |
| InChIKey: | LZTAURWQYWWPLU-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4 | | OpenEye OEToolkits 2.0.7 | CC1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4 | | CACTVS 3.385 | C[CH]1CCCOc2ccccc2C(=O)Nc3cccc(n3)c4nncn14 | | CACTVS 3.385 | C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)c4nncn14 | | ACDLabs 12.01 | c3cc4NC(=O)c1ccccc1OCCCC(C)n2c(nnc2)c(c3)n4 |
|
| Name: | (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one |
| ChEMBL: | CHEMBL4514925 |
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