| PDB CCD ID: | KNF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H23 N5 O3 |
| InChI: | InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1 |
| InChIKey: | ACSQLTBPYZSGBA-GMXVVIOVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)(C)[C@@H](CO)NC(=O)c1c2c(n(n1)c3c[n+](ccn3)[O-])[C@H]4C[C@H]4C2 | | CACTVS 3.385 | CC(C)(C)[CH](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[CH]4C[CH]4Cc13 | | OpenEye OEToolkits 2.0.7 | CC(C)(C)C(CO)NC(=O)c1c2c(n(n1)c3c[n+](ccn3)[O-])C4CC4C2 | | CACTVS 3.385 | CC(C)(C)[C@@H](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[C@H]4C[C@H]4Cc13 |
|
| Name: | Olorinab;
(2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide |
| ChEMBL: | CHEMBL4175981 |
| DrugBank: | DB14998 |
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