General Information of the Compound
| Compound ID |
CP0062687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8664236, A5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N8O3
|
||||||||||||||||||
| Molecular Weight |
486.536
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEOSNYWREMRRNA-SFHVURJKSA-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