General Information of the Compound
| Compound ID |
CP0425997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3361192
Show/Hide
|
||||||||||||||||||
| Formula |
C25H30N6O
|
||||||||||||||||||
| Molecular Weight |
430.556
|
||||||||||||||||||
| Canonical SMILES |
NNC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N6O/c26-31-24(32)21-13-11-19(12-14-21)17-28-25-29-22(20-9-5-2-6-10-20)15-23(30-25)27-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17,26H2,(H,31,32)(H2,27,28,29,30)/t19-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PELRRIOYIGYKPB-XUTJKUGGSA-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