General Information of the Compound
| Compound ID |
CP0376813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(5S,6S,9R)-5-azido-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26F2N8O3
|
||||||||||||||||||
| Molecular Weight |
560.565
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3[C@H]2N=[N+]=[N-])c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F2N8O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(5-2-12-32-25)24(18)35-36-31)41-28(40)37-14-10-16(11-15-37)38-21-7-3-13-33-26(21)34-27(38)39/h1-7,12-13,16,18,22,24H,8-11,14-15H2,(H,33,34,39)/t18-,22+,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNBQIQVKRDRNJO-ANJVHQHFSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound