Diabzi sting agonist-1
CAS: 2138299-33-7
| 1 | diABZI STING agonist-1 |
| 2 | L7DUG75C36 |
| 3 | 1H-Benzimidazole-5-carboxamide, 1-((2E)-4-(5-(aminocarbonyl)-2-(((1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl)amino)-7-methoxy-1H-benzimidazol-1-yl)-2-buten-1-yl)-2-(((1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl)amino)-7-(3-(4-morpholinyl)propoxy)- |
| 4 | RefChem:1083261 |
| 5 | Tautomerism |
No description available for this item
| Molecular Formula | C42H51N13O7 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 849.9000 |
| InChIKey | JGLMVXWAHNTPRF-CMDGGOBGSA-N |
| InChI | InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+ |
| XLogP | 1.9000 |
| ExactMass | 849.4034 |
| MonoisotopicMass | 849.4034 |
| TPSA | 247.0000 |
| Complexity | 1570.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 12 |
| RotatableBondCount | 18 |
| HeavyAtomCount | 62 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 40887 |
| PatentFamilyCount | 12446 |
| LiteratureCount | 14 |