KR9
Summary
| Name: | ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide |
| Formula: | C29 H24 F3 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 563.527 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H24F3N5O4/c1-33-27(38)24(11-17-14-35-22-6-4-3-5-19(17)22)37-28(39)23-9-7-16-13-34-15-21(26(16)36-23)20-12-18(41-29(30,31)32)8-10-25(20)40-2/h3-10,12-15,24,35H,11H2,1-2H3,(H,33,38)(H,37,39)/t24-/m0/s1 |
| InChIKey | InChI | 1.06 | HXNJLYFKGOKJJR-DEOSSOPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F)(F)F)ccc5OC)c4n3 |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F)(F)F)ccc5OC)c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3ccc4cncc(c4n3)c5cc(ccc5OC)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c3ccc4cncc(c4n3)c5cc(ccc5OC)OC(F)(F)F |
