General Information of the Compound
| Compound ID |
CP0437179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4072093
Show/Hide
|
||||||||||||||||||
| Formula |
C18H26N4
|
||||||||||||||||||
| Molecular Weight |
298.434
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N4/c1-4-13-5-10-17-16(11-13)18(20-12-19-17)21-14-6-8-15(9-7-14)22(2)3/h5,10-12,14-15H,4,6-9H2,1-3H3,(H,19,20,21)/t14-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGEIUFAXAYSZJB-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