PDB CCD ID: | 2LC |
Number of entries in BioLiP: | 2 |
Chemical formula: | C22 H26 F N3 O3 |
InChI: | InChI=1S/C22H26FN3O3/c1-12-10-26(17-8-22(2,3)9-18(27)19(12)17)14-6-15(23)20(21(24)28)16(7-14)25-13-4-5-29-11-13/h6-7,10,13,25H,4-5,8-9,11H2,1-3H3,(H2,24,28)/t13-/m0/s1 |
InChIKey: | GAGDTKJJVCLACJ-ZDUSSCGKSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4 | CACTVS 3.385 | Cc1cn(c2CC(C)(C)CC(=O)c12)c3cc(F)c(C(N)=O)c(N[C@H]4CCOC4)c3 | ACDLabs 12.01 | O=C4c1c(n(cc1C)c2cc(c(c(F)c2)C(=O)N)NC3CCOC3)CC(C)(C)C4 | CACTVS 3.385 | Cc1cn(c2CC(C)(C)CC(=O)c12)c3cc(F)c(C(N)=O)c(N[CH]4CCOC4)c3 | OpenEye OEToolkits 1.7.6 | Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)NC4CCOC4 |
|
Name: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide |
ChEMBL: | CHEMBL3104858 |
ZINC: | ZINC000068207165 |