General Information of the Compound
| Compound ID |
CP0554294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5O4
|
||||||||||||||||||
| Molecular Weight |
501.587
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5O4/c1-18-14-23(32-13-12-22(16-32)30-28(34)37-17-20-8-6-5-7-9-20)27-29-19(2)26(33(27)31-18)21-10-11-24(35-3)25(15-21)36-4/h5-11,14-15,22H,12-13,16-17H2,1-4H3,(H,30,34)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHRNJVHQFGJRLK-JOCHJYFZSA-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