General Information of the Compound
| Compound ID |
CP0460637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9586948, Example 42
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N8O2
|
||||||||||||||||||
| Molecular Weight |
460.542
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)N1CC(CN)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N8O2/c1-31-14-20(22(30-31)24(34)32-12-16(10-25)13-32)29-23(33)19-4-2-3-18(28-19)17-7-8-26-21(9-17)27-11-15-5-6-15/h2-4,7-9,14-16H,5-6,10-13,25H2,1H3,(H,26,27)(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRSFBZLLOZFCNN-UHFFFAOYSA-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