80U
1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Find entries where: 80U
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
| Identifiers | 1-[(3~{R})-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
| Formula | C24 H25 Cl N8 O2 |
| Molecular Weight | 492.961 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N |
| InChI | InChI=1S/C24H25ClN8O2/c1-3-20(34)32-9-4-5-16(12-32)33-24-21(23(26)28-14-29-24)22(30-33)15-6-7-18(17(25)11-15)35-13-19-27-8-10-31(19)2/h3,6-8,10-11,14,16H,1,4-5,9,12-13H2,2H3,(H2,26,28,29)/t16-/m1/s1 |
| InChIKey | IDPFQFBOJCHECD-MRXNPFEDSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 60 |
| Chiral Atom Count | 1 |
| Bond Count | 64 |
| Aromatic Bond Count | 21 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 130203720 |
| ChEMBL | CHEMBL4060187 |
