General Information of the Compound
| Compound ID |
CP0169788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2178935
Show/Hide
|
||||||||||||||||||
| Formula |
C21H26N4O2
|
||||||||||||||||||
| Molecular Weight |
366.465
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O2/c1-12-19(25-20(21(23)27)13(2)24-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(22)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,26)(H2,23,27)/t14-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUAYEZNPJOOJDS-SHTZXODSSA-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