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| Ligand Name: 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-(prop-2-enoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB865 |
PubChem:
122513214
|
Synonym(s):
- chembl4242598
- schembl18044989
- gtpl10076
- bdbm50463725
- example 90 [us20160264548]
- btk inhibitor 16 [pmid: 30122225]
- 2-(4-phenoxyphenoxy)-6-[(1s,4s)-2-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
- 6-((1s,4s)-5-acryloyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4-phenoxyphenoxy)nicotinamide
show 7 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4242598 |
| Canonical SMILES: C=CC(=O)N(C[C@H]12)[C@@H](C1)CN2c3ccc(C(=O)N)c(n3)Oc4ccc(cc4)Oc5ccccc5 |
| Standard InChI: InChI=1S/C26H24N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h2-13,17-18H,1,14-16H2,(H2,27,32)/t17-,18-/m0/s1 |
| Molecular Formula: C26H24N4O4 |
Mol. Weight: 456.17975 |
logP: 3.7406 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 7 | TPSA: 97.99 |