6GI
Summary
| Name: | 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine |
| Formula: | C26 H23 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 481.506 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | YNNIPDFDZWDMRE-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2nc3cc4OCCCOc4cc3n2[C@@H](N1)c5ccc(OCc6cn7ccccc7n6)cc5 |
| SMILES | CACTVS | 3.385 | NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N |
