| PDB CCD ID: | A1BX7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C32 H36 N10 O2 |
| InChI: | InChI=1S/C32H36N10O2/c1-19-23-15-34-42(26(23)12-25(35-19)24-14-33-7-6-28(24)43-3)29-13-27-30(31(36-29)41-17-22-11-21(41)18-44-22)37-32(38(27)2)40-10-9-39-8-4-5-20(39)16-40/h6-7,12-15,20-22H,4-5,8-11,16-18H2,1-3H3 |
| InChIKey: | WWLFWVFVYAPDGW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ccncc1c2cc3n(ncc3c(C)n2)c4cc5n(C)c(nc5c(n4)N6C[CH]7C[CH]6CO7)N8CCN9CCC[CH]9C8 | | OpenEye OEToolkits 3.1.0.0 | Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(n4)N6C[C@H]7C[C@@H]6CO7)nc(n5C)N8CCN9CCC[C@@H]9C8 | | ACDLabs 14.52 | COc1ccncc1c1cc2c(cnn2c2nc(N3CC4CC3CO4)c3nc(N4CC5CCCN5CC4)n(C)c3c2)c(C)n1 | | CACTVS 3.385 | COc1ccncc1c2cc3n(ncc3c(C)n2)c4cc5n(C)c(nc5c(n4)N6C[C@H]7C[C@@H]6CO7)N8CCN9CCC[C@@H]9C8 | | OpenEye OEToolkits 3.1.0.0 | Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c(n4)N6CC7CC6CO7)nc(n5C)N8CCN9CCCC9C8 |
|
| Name: | (6M)-1-{2-[(5S,8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine |
