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| Ligand Name: FM409 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB349 |
PubChem:
122197585
|
Synonym(s):
- (~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide
- 79r
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN(C)C(=O)C(/C#N)=C\c(o1)ccc1-c(n2[C@H]3CCCC[C@H]3C)nc(c24)cnc5c4cc[nH]5 |
| Standard InChI: InChI=1S/C25H26N6O2/c1-15-6-4-5-7-20(15)31-22-18-10-11-27-23(18)28-14-19(22)29-24(31)21-9-8-17(33-21)12-16(13-26)25(32)30(2)3/h8-12,14-15,20H,4-7H2,1-3H3,(H,27,28)/b16-12-/t15-,20+/m1/s1 |
| Molecular Formula: C25H26N6O2 |
Mol. Weight: 442.21173 |
logP: 4.91898 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 4 | TPSA: 103.74 |