General Information of the Compound
| Compound ID |
CP0455990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4069378
Show/Hide
|
||||||||||||||||||
| Formula |
C18H26N4
|
||||||||||||||||||
| Molecular Weight |
298.434
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc(C)c(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N4/c1-12-9-16-17(10-13(12)2)19-11-20-18(16)21-14-5-7-15(8-6-14)22(3)4/h9-11,14-15H,5-8H2,1-4H3,(H,19,20,21)/t14-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JENSCYWJQSTTOZ-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 | |||||||||||||||||||
| 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