General Information of the Compound
| Compound ID |
CP0562123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-deuterio-5-[(2S,6R)-11-(2,6-diazaspiro[3.4]octan-6-yl)-6-methyl-4,7,10-triazatricyclo[7.4.0.02,7]trideca-1(9),10,12-trien-4-yl]quinoline-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N7
|
||||||||||||||||||
| Molecular Weight |
452.5841018
|
||||||||||||||||||
| Canonical SMILES |
[2H]c1ccc2c(ccc(C#N)c2n1)N1C[C@H]2N(Cc3nc(ccc23)N2CCC3(CNC3)C2)[C@H](C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N7/c1-18-12-33(23-6-4-19(11-28)26-21(23)3-2-9-30-26)14-24-20-5-7-25(31-22(20)13-34(18)24)32-10-8-27(17-32)15-29-16-27/h2-7,9,18,24,29H,8,10,12-17H2,1H3/t18-,24-/m1/s1/i9D
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUVSRVSKQPMECA-OKHWZEKLSA-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9