93L
Summary
| Name: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one |
| Formula: | C24 H28 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 460.532 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},9~{S})-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H28N8O2/c1-14-27-28-22-18(26-16-7-9-30(2)10-8-16)12-19(29-32(14)22)24(34)31-20-11-15-5-3-4-6-17(15)21(31)13-25-23(20)33/h3-6,12,16,20-21,26H,7-11,13H2,1-2H3,(H,25,33)/t20-,21-/m0/s1 |
| InChIKey | InChI | 1.06 | JFALEKLXZVKEKY-SFTDATJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)Nc2cc(nn3c(C)nnc23)C(=O)N4[C@H]5CNC(=O)[C@@H]4Cc6ccccc56 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)Nc2cc(nn3c(C)nnc23)C(=O)N4[CH]5CNC(=O)[CH]4Cc6ccccc56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4C5Cc6ccccc6C4CNC5=O |
