| PDB CCD ID: | 7YT |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C20 H21 N5 O2 |
| InChI: | InChI=1S/C20H21N5O2/c1-13-10-18(26)24(2)23-19(13)14-5-7-16(8-6-14)22-20(27)25-11-15-4-3-9-21-17(15)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,27)/t13-/m1/s1 |
| InChIKey: | IJKUAZSSMFHECB-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@@H]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2 | | OpenEye OEToolkits 2.0.7 | C[C@@H]1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4cccnc4C3)C | | OpenEye OEToolkits 2.0.7 | CC1CC(=O)N(N=C1c2ccc(cc2)NC(=O)N3Cc4cccnc4C3)C | | CACTVS 3.385 | C[CH]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2 |
|
| Name: | N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide;
N-[4-[(4R)-1,4-Dimethyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide |
zhanggroup.org