General Information of the Compound
| Compound ID |
CP0873753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 172
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N8O2
|
||||||||||||||||||
| Molecular Weight |
456.51
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4ncc[nH]4)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N8O2/c25-21-20-19(14-1-3-15(4-2-14)23(34)30-24-27-9-10-28-24)29-22(31(20)12-11-26-21)16-5-6-17-7-8-18(33)32(17)13-16/h1-4,9-12,16-17H,5-8,13H2,(H2,25,26)(H2,27,28,30,34)/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWZOLYZHOSXCRP-SJORKVTESA-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